News

Clean Energy Project Featured on Cover of Energy & Environmental Science

Posted by on Jan 23, 2014 in Uncategorized | Comments Off

Our recent paper about the Harvard Clean Energy project, entitled Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project, was just featured on the inside front cover of Energy & Environmental Science. Congratulations to Johannes, Roberto, Adrian, Martin, László, Carolina, Kai, Sule, Süleyman, and Supriya, as well as to the entire Harvard Clean Energy project team!

Demon-like Algorithmic Quantum Cooling and its Realization with Quantum Optics

Posted by on Jan 13, 2014 in Uncategorized | Comments Off

Our paper entitled Demon-like Algorithmic Quantum Cooling and its Realization with Quantum Optics was just accepted for publication in Nature Photonics. Congratulations to Man-Hong and Sergio!

A Metal-Free Organic–Inorganic Aqueous Flow Battery

Posted by on Jan 9, 2014 in Uncategorized | Comments Off

Our paper entitled A Metal-Free Organic–Inorganic Aqueous Flow Battery was just published in Nature. A major congratulations to Changwon, Süleyman, and Cooper on this incredible start to 2014! Congratulations also to our collaborators in the groups of Professors Michael Aziz and Roy Gordon.

Our paper has been featured in a number of news outlets, including the New York Times, Nature, Nature News and Views, Science, Scientific American, Technology Review, the BBC, the Harvard Gazette, the Harvard School of Engineering and Applied Sciences, the International Business Times, IEEE Spectrum, Phys.org, the Christian Science Monitor, United Press International, Welt der Physik, GigaOm, the Canadian Broadcasting Corporation, the Sydney Morning Herald, New Electronics, USA News, Pandidy, the Register, Energy and Technology Magazine, Greenwire, EE Times, and the Escapist. Congratulations to all once again!

                                   
         

Farewell, Johannes!

Posted by on Dec 22, 2013 in Uncategorized | Comments Off

A few days ago, we bid farewell to Johannes Hachmann, who is starting as an Assistant Professor in the Department of Chemical and Biological Engineering at the University at Buffalo (part of the State University of New York). Johannes was really the heart and soul of the Harvard Clean Energy Project, and we will miss him very much. Johannes just made the drive from Cambridge to Buffalo, and we wish him the best of luck as he begins the next exciting phase of his life!

Clean Energy Project Paper Highlighted in “Nachrichten aus der Chemie”

Posted by on Dec 11, 2013 in Uncategorized | Comments Off

Our latest paper about the Clean Energy Project was just highlighted in the “Nachrichten aus der Chemie” (News from Chemistry), which is the newspaper of the German Chemical Society. The paper is entitled Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project. Congratulations to the entire Clean Energy Project team!

From Transistor to Trapped-Ion Computers for Quantum Chemistry

Posted by on Dec 7, 2013 in Uncategorized | Comments Off

Our paper entitled From Transistor to Trapped-Ion Computers for Quantum Chemistry was just accepted for publication in Scientific Reports. Congratulations to Man Hong and Jarrod!

Stéphanie Wins 2013 Graduate Student Award in Computational Physical Chemistry

Posted by on Dec 3, 2013 in Uncategorized | Comments Off

Congratulations to Stéphanie Valleau, who was just announced as a winner of the 2013 American Chemical Society (ACS) Graduate Student Award in Computational Physical Chemistry. This is a nation-wide competition among graduate students in theoretical and computational chemistry, and the award includes substantial amounts of computational time on the National Center for Supercomputing Applications (NCSA) Blue Waters supercomputer. Congratulations again, Stéphanie!

Clean Energy Project Featured on ChemEurope

Posted by on Nov 30, 2013 in Uncategorized | Comments Off

The Clean Energy Project was just featured on ChemEurope. Check out the article here. Congratulations to the entire Clean Energy Project team!

Farewell, Sule!

Posted by on Nov 22, 2013 in Uncategorized | Comments Off

Yesterday, we bid farewell to Sule Atahan-Evrenk, who will be starting in a faculty position at TOBB University of Economics and Technology in Ankara, Turkey as an Assistant Professor. Sule has been in the Aspuru-Guzik group from its earliest days, and we will miss her very much! Congratulations, Sule, and best of luck!

Clean Energy Project Featured on Chemistry World

Posted by on Nov 9, 2013 in Uncategorized | Comments Off

The Harvard Clean Energy Project was just featured on RSC’s Chemistry World. Check it out here. Congratulations to the Clean Energy Project team!

Our Work on Feynman’s Clock Featured on Phys.org

Posted by on Oct 18, 2013 in Uncategorized | Comments Off

Our recent paper on Feynman’s clock entitled Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics was just featured on Phys.org. Check it out! Congratulations to Jarrod and John!

Force-Field Functor Theory: Classical Force-Fields which Reproduce Equilibrium Quantum Distributions

Posted by on Oct 10, 2013 in Uncategorized | Comments Off

Our paper entitled Force-Field Functor Theory: Classical Force-Fields which Reproduce Equilibrium Quantum Distributions was just accepted for publication in Frontiers in Theoretical and Computational Chemistry. Congratulations to Ryan and John!

Professor Karplus wins Nobel Prize!

Posted by on Oct 9, 2013 in Uncategorized | Comments Off

Professor Martin Karplus, a theoretical chemist in our department, was just awarded the 2013 Nobel Prize in Chemistry “for the development of multiscale models for complex chemical systems,” jointly with Michael Levitt and Ariel Warshel.

Here is Alán celebrating with Professor Karplus, along with the other theoreticians in our department (Professor Kaxiras, Professor Heller, and Professor Shakhnovich). Congratulations Professor Karplus!

Parametric Hierarchical Matrix Approach for the Wideband Optical Response of Large-Scale Molecular Aggregates

Posted by on Oct 6, 2013 in Uncategorized | Comments Off

Our paper entitled Parametric Hierarchical Matrix Approach for the Wideband Optical Response of Large-Scale Molecular Aggregates was just accepted for publication in the Journal of Applied Physics. Congratulations to Semion, Stéphanie, and our collaborators!

Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project

Posted by on Oct 4, 2013 in Uncategorized | Comments Off

Our paper entitled Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project was just accepted for publication in Energy & Environmental Science. Congratulations to the entire Harvard Clean Energy Project team: Johannes, Roberto, Adrian, Martin, László, Carolina, Kai, Sule, Süleyman, and Supriya, as well as to our collaborators!

Reproducing Deep Tunneling Splittings, Resonances and Quantum Frequencies in Vibrational Spectra from a Handful of Direct ab Initio Semiclassical Trajectories

Posted by on Sep 23, 2013 in Uncategorized | Comments Off

Our paper entitled Reproducing Deep Tunneling Splittings, Resonances and Quantum Frequencies in Vibrational Spectra from a Handful of Direct ab Initio Semiclassical Trajectories was just accepted for publication in the Journal of Physical Chemistry Letters. Cheers to our continued semiclassics collaboration with Riccardo and Michele!

Crunching Away!

Posted by on Sep 20, 2013 in Uncategorized | Comments Off

After just 24 hours with our new GPGPU cluster, we are already happily crunching away!

Our Newest Toys!

Posted by on Sep 19, 2013 in Uncategorized | Comments Off

We are extremely excited to announce that we have just received a new GPGPU cluster containing 32 GPUs! We received this cluster as part of the NSF’s Cyber-Enabled Discovery and Innovation (CDI) initiative in collaboration with Hanspeter Pfister and Lincoln Greenhill. Harvard’s Research Computing division partnered with us in the acquisition and setup of this resource, and we are immensely grateful to the Director James Cuff and his team at Research Computing for making this possible. We promise to keep the GPU cluster as busy as we can!

Welcome, Jennifer!

Posted by on Sep 19, 2013 in Uncategorized | Comments Off

Welcome to our newest G1 rotator, Jennifer Wei! Jennifer completed her undergraduate studies at Yale University, and is now beginning a rotation in our group. We are excited to have her!

Farewell, Aidan!

Posted by on Sep 19, 2013 in Uncategorized | Comments Off

We also bid farewell to one of our most talented undergraduates, Aidan Daly, as he also moves across the pond for a Rhodes Fellowship in the United Kingdom! Congratulations, Aidan, and good luck!

Farewell, Jenny!

Posted by on Sep 19, 2013 in Uncategorized | Comments Off

We bid farewell to Jenny Brookes, a postdoctoral scholar in our group, as she returns to the United Kingdom to complete her Sir Henry Wellcome Postdoctoral Fellowship. Good luck on the other side of the pond, Jenny!

      

Farewell, Professor Yung!

Posted by on Aug 29, 2013 in Uncategorized | Comments Off

Today, we bid farewell to Dr. Man-Hong Yung, who will be starting as an Assistant Professor at Tsinghua University in Beijing, China. We wish him the best of luck as he begins his new professorship at the university’s Center for Quantum Information, and we look forward to seeing a long line of publications from his new research group! Congratulations, Professor Yung, and good luck!

            

Clean Energy Project Receives Data+ Editor’s Choice Award from ComputerWorld

Posted by on Aug 26, 2013 in Uncategorized | Comments Off

The Harvard Clean Energy Project spearheaded by our group just received a Data+ Editor’s Choice Award from Computerworld. These awards recognize projects which help to make “better business decisions using big data.” Check out the full press release here. A big congratulations to the Clean Energy Project team!

Feynman’s Clock, a New Variational Principle, and Parallel-in-Time Quantum Dynamics

Posted by on Aug 21, 2013 in Uncategorized | Comments Off

Our paper entitled Feynman’s Clock, a New Variational Principle, and Parallel-in-Time Quantum Dynamics was just accepted for publication in the Proceedings of the National Academy of Sciences. Congratulations to Jarrod and John!

Real-space Density Functional Theory on GPUs: Computational Approach and Comparison to Gaussian Basis Set Methods

Posted by on Aug 15, 2013 in Uncategorized | Comments Off

Our paper entitled Real-space Density Functional Theory on Graphical Processing Units: Computational Approach and Comparison to Gaussian Basis Set Methods was just accepted for publication in the Journal of Chemical Theory and Computation. Congratulations Xavier!

Resource Efficient Gadgets for Compiling Adiabatic Quantum Optimization Problems

Posted by on Aug 7, 2013 in Uncategorized | Comments Off

Our paper entitled Resource Efficient Gadgets for Compiling Adiabatic Quantum Optimization Problems was just accepted for publication in Annalen der Physik. Congratulations to Ryan!

Disentangling Electronic and Vibronic Coherences in Two-Dimensional Echo Spectra

Posted by on Jul 26, 2013 in Uncategorized | Comments Off

Our paper entitled Disentangling Electronic and Vibronic Coherences in Two-Dimensional Echo Spectra was just accepted for publication in the Journal of Physical Chemistry B. Congratulations to Christoph and his former adviser, Tobias Kramer!

Temperature and Carbon Assimilation Regulate the Chlorosome Biogenesis in Green Sulfur Bacteria

Posted by on Jul 24, 2013 in Uncategorized | Comments Off

Our paper entitled Temperature and Carbon Assimilation Regulate the Chlorosome Biogenesis in Green Sulfur Bacteria was just accepted for publication in the Biophysical Journal. Congratulations to Semion and Joonsuk, as well as our collaborators at Clark University!

Our Recent Paper Featured on Physics arXiv Blog

Posted by on Jul 20, 2013 in Uncategorized | Comments Off

Our paper entitled From Transistor To Trapped-Ion Computers For Quantum Chemistry was just featured on the Physics arXiv Blog as one of the most interesting papers from this week. Check it out here. Congratulations to Man-Hong and Jarrod!

Confined Organization of Fullerene Units Along High Polymer Chains

Posted by on Jul 16, 2013 in Uncategorized | Comments Off

Our paper entitled Confined Organization of Fullerene Units Along High Polymer Chains was just accepted for publication in the Journal of Materials Chemistry C. Congratulations to Sule and Supriya!

Effects of Odd-Even Side Chain Length of Alkyl-Substituted Diphenyl-bithiophenes on First Monolayer Thin Film Packing Structure

Posted by on Jul 4, 2013 in Uncategorized | Comments Off

Our paper entitled Effects of Odd-Even Side Chain Length of Alkyl-Substituted Diphenyl-bithiophenes on First Monolayer Thin Film Packing Structure was just accepted for publication in the Journal of the American Chemical Society. Congratulations to Sule and all of our collaborators in the Zhenan Bao group at Stanford!

More Press Coverage for the Clean Energy Project

Posted by on Jun 26, 2013 in Uncategorized | Comments Off

More press coverage keeps coming in about our public release of the Clean Energy Project database, which contains data on the feasibility of 2.3 million candidate molecules for organic solar cells. Check out articles in Gigaom, CleanEnergyAuthority, Electronics News, Voice of America, PopSci, Phys.org, SlashDot, the Harvard Gazette, and even the Washington Post! A big congratulations again to the Clean Energy Project team!

Professor Johannes Hachmann

Posted by on Jun 25, 2013 in Uncategorized | Comments Off

A big congratulations to Johannes Hachmann, who just accepted a position as an Assistant Professor in the Department of Chemical and Biological Engineering at the University at Buffalo (part of the State University of New York). As part of our group, Johannes ran the largest materials science distributed computing project, and he will now bring this expertise to the university’s Center of Excellence in Materials Informatics, where he will start in January 2014. Congratulations Johannes!

Clean Energy Project Database Goes Public!

Posted by on Jun 24, 2013 in Uncategorized | Comments Off

Today was a big day for the Clean Energy Project team! Over many years, the CEP team has amassed a huge database of 2.3 million organic molecules containing information about each molecule’s feasibility as an organic solar cell material. This database is the result of over 150,000,000 density functional theory calculations run over a distributed computing network by our group of dedicated crunchers! Today, for the first time, that database was released to the public as a free and open resource. Check out the brand new website, cleanenergy.molecularspace.org, where all of the data was released.

In addition, check out the press releases by the IBM News Room, the MIT Technology Review, and even the White House. Also check out the video interview with Alán as part of the IBM Citizen Science initiative.

A major congratulations to the whole CEP team for working around the clock to make this happen!

Farewell, Professor Parkhill!

Posted by on Jun 15, 2013 in Uncategorized | Comments Off

Today, we bid a heartfelt farewell to Dr. John Parkhill, who will be starting as an Assistant Professor at the University of Notre Dame this July! Though we are sad to see him go, we wish him the best of luck as he begins his new professorship and we look forward to seeing the publications from his brand new research group! Congratulations, Professor Parkhill, and godspeed!

Joel Yuen Officially Graduates!

Posted by on Jun 7, 2013 in Uncategorized | Comments Off

A big congratulations to Joel Yuen, who officially graduated from Harvard with his Ph.D. Joel is now the Robert Silbey Postdoctoral Fellow at the MIT Center for Excitonics. Congratulations Joel!

Clean Energy Project Chosen for BOINC Pentathlon!

Posted by on May 2, 2013 in Uncategorized | Comments Off

The Clean Energy Project was just chosen as the next project for the BOINC Pentathlon! This means even more “marathoners” will be running our screensaver! Check out the press release here! Congratulations to the Clean Energy Project Team!

Jacob Wins Derek C. Bok Award for Excellence in Teaching

Posted by on Apr 28, 2013 in Uncategorized | Comments Off

Congratulations to Jacob, who was just named a recipient of the 2013 Derek C. Bok Award for Excellence in Graduate Student Teaching of Undergraduates. The award is given annually to five graduate students across the entire university in recognition of outstanding teaching. The photo below shows the presentation of the award by Dean Xiao-Li Meng. Congratulations Jacob!

Clean Energy Project Featured on Computerworld and Slashdot

Posted by on Apr 28, 2013 in Uncategorized | Comments Off

Our group’s Clean Energy Project, a massively-distributed computing project for identifying the most promising molecular candidates for constructing organic solar cells, was featured on Computerworld. The article discusses our plans to release the top molecular candidates identified by the project in the near future. Check out the article here. In fact, the article was subsequently slashdotted. Congratulations to the Clean Energy Project Team!

Jacob Selected as Peer Mentor to US International Chemistry Olympiad Team

Posted by on Apr 25, 2013 in Uncategorized | Comments Off

Jacob was recently selected by the American Chemical Society as the peer mentor for the United States International Chemistry Olympiad Team. He will travel for two weeks in June to the Chemistry Olympiad Study Camp, held at the Air Force Academy in Colorado Springs, where he will give lectures and hold problem-solving sessions for the top 20 high school students in the nation. After two intense weeks of lectures and laboratories, the top four students will attend the international competition held this year in Moscow, Russia. Congratulations, Jacob, on your selection as a mentor, and good luck with preparing the team!

Breaking News: Alán Receives Tenure!

Posted by on Apr 2, 2013 in Uncategorized | Comments Off

Breaking News: A major CONGRATULATIONS to Alán, who just today learned that he received tenure here at Harvard! Thank you to EVERYONE over the years who helped make this a reality!

We look forward to many more scientific adventures in the years to come! Congratulations again, Alán! Felicidades!

Johannes Receives ACS Post-Doc Award

Posted by on Mar 22, 2013 in Uncategorized | Comments Off

A big congratulations to Johannes Hachmann, who just received a Postdoctoral Research Award from the American Chemical Society Physical Chemistry Division. He will be heading to the ACS meeting in Indianapolis in September to give a 20-minute lecture and receive the award. Congratulations, Johannes!

Professor Atahan-Evrenk

Posted by on Mar 22, 2013 in Uncategorized | Comments Off

A huge congratulations to Sule Atahan-Evrenk, who just accepted a position at TOBB University of Economics and Technology in Ankara, Turkey as an Assistant Professor. She will start there in Fall 2013. Congratulations again, Professor Atahan-Evrenk!

Professor Parkhill

Posted by on Mar 22, 2013 in Uncategorized | Comments Off

A huge congratulations to John Parkhill, who just accepted a position at the University of Notre Dame as an Assistant Professor in the Department of Chemistry and Biochemistry. He will be starting there July 1, but his new group website is already up and running. Check it out here! Congratulations, Professor Parkhill!

Temperature-Dependent Conformations of a Membrane Supported ‘Zinc Porphyrin Tweezer’ by 2D Fluorescence Spectroscopy

Posted by on Mar 12, 2013 in Uncategorized | Comments Off

Our paper entitled Temperature-Dependent Conformations of a Membrane Supported ‘Zinc Porphyrin Tweezer’ by 2D Fluorescence Spectroscopy was just accepted for publication in the Journal of Physical Chemistry A. Congratulations to Alejandro and Dmitrij, as well as our collaborators at the University of Oregon!

Theory and Beyond: Quantum Computing for Chemistry Applications

Posted by on Mar 7, 2013 in Uncategorized | Comments Off

Alan was recently featured on the MyCQstate blog, based on a talk he gave at MIT about Quantum Computing for Chemistry Applications. Check out the blog post here.

Alán Gives Q-Chem Webinar

Posted by on Feb 16, 2013 in Uncategorized | Comments Off

Alán gave a Q-Chem Webinar about the Clean Energy Project. Check it out here on YouTube!

Alán Wins 2013 ACS Early Career Award in Theoretical Chemistry

Posted by on Jan 15, 2013 in Uncategorized | Comments Off

Alán just received the 2013 ACS Early Career Award in Theoretical Chemistry. The award is “for his pioneering contributions to the intersection of quantum information and chemistry. In particular, quantum computing for chemistry and ultrafast quantum process tomography.” Congratulations! Check out the award here.

Our Group’s Newest Toys!

Posted by on Jan 11, 2013 in Uncategorized | Comments Off

We are very proud and happy to announce that the Harvard Clean Energy Project managed to team up with HGST (formerly Hitachi Global Storage Technologies, now part of the Western Digital Corporation family) on the CEP hardware department. HGST is generously sponsoring us with the harddrives for our upcoming Jabba storage arrays, for which we are extremely grateful. Yesterday, the first batch of 45 3TB Deskstar 5K3000 drives arrived and they are now waiting to be mounted into jabba6. Once the new drives have been added we’ll be operating 240 Deskstars with a capacity of 720TB!

The HGST Deskstars have now for over two years been our primary data storage medium and we were very impressed by their reliability and performance. Disc failures are not an issue at all. It’s good to know that the results produced by the World Community Grit participants around the globe are safe with the HGST hardware and we are not shy acknowledging it. Thanks again to HGST for supporting the Clean Energy Project!

            

Aidan Daly Featured as One of the Most Impressive Harvard Students

Posted by on Jan 11, 2013 in Uncategorized | Comments Off

Aidan Daly was just featured in Business Insider as one of the 22 most impressive students at Harvard right now. The article also mentions Aidan’s work in computational quantum computing, which he conducted during his time in our group. Check out the article here. Congratulations to Aidan!

A Quantum Leap

Posted by on Jan 11, 2013 in Uncategorized | Comments Off

Check out the recent article entitled “A Quantum Leap” in The Harvard Undergraduate Research Journal (THURJ). In the article, Alan discusses some aspects of the history of quantum computing, as well as the group’s recent work in the field. Read it here!

Goodbye Anna! Welcome Marlon!

Posted by on Jan 3, 2013 in Uncategorized | Comments Off

It is with great sadness that we bid farewell to our long-time Laboratory Administrator, Anna Shin. She has been part of the lifeblood of the group since August 2008, and it is thanks to her tireless efforts that business in the group has operated so smoothly on a day-to-day basis. Her cheerful personality and relentless optimism will be missed by everyone, and we wish her all the best in the future!

At the same time, we bid a warm welcome to Marlon Cummings, our new Laboratory Administrator. Though he has big shoes to fill, we all look forward to working with him in the years ahead.

New 4-GPU Box for Accelerated Electronic Structure Calculations

Posted by on Dec 11, 2012 in Uncategorized | Comments Off

A brief update on the newest toy in our group: we just purchased a 4-GPU box in order to run accelerated electronic structure calculations. Adrian Jinich and Dmitrij Rappoport have already hit the ground running by starting to use it to simulate metabolic pathways. The box has been named ‘Tribal’ in honor of Alán’s boots. If it works well, we hope to purchase at least three more!

Welcome to our Newest Graduate Students!

Posted by on Dec 11, 2012 in Uncategorized | Comments Off

A very warm welcome to our newest first-year graduate students: Sam Blau, Nicolas Sawaya, and Thomas Markovich! We are extremely excited to have them all in the group.

More Press Coverage on ARPA-E Grant!

Posted by on Dec 9, 2012 in Uncategorized | Comments Off

More press coverage on our group’s new APRA-E Grant, this time from the Waterloo Global Science Institute which hosted the Equinox Summit: Energy 2030, in which Alán participated as a quorum member. Check it out here!

Alán Wins ARPA-E Grant to Collaborate on Development of a Flow Battery

Posted by on Nov 29, 2012 in Uncategorized | Comments Off

Alán was part of a team of chemists and engineers at Harvard to win a $600,000 grant from the U.S. Department of Energy’s Advanced Research Projects Agency–Energy (ARPA-E) program. The grant will support research into the development of a flow battery, which is a type of highly rechargable fuel cell. Based on our group’s prior experience in the Clean Energy Project with high-throughput screening of potential molecules for organic solar cells, we will be applying our methods to identify optimal candidate molecules for the battery. Check out the Harvard press release here for more details. We are really excited to embark on this new line of research!

Computational Complexity in Electronic Structure

Posted by on Nov 29, 2012 in Uncategorized | Comments Off

Our paper entitled Computational Complexity in Electronic Structure was accepted for publication as a Perspective in Physical Chemistry Chemical Physics. It is already available as an Advance Article. Congratulations to James and Peter!

Positivity in the Presence of Initial System-Environment Correlation

Posted by on Nov 29, 2012 in Uncategorized | Comments Off

Our paper entitled Positivity in the Presence of Initial System-Environment Correlation was just accepted for publication in Physical Review A. Congratulations to César!

Photonics Meets Excitonics: Natural and Artificial Molecular Aggregates

Posted by on Nov 28, 2012 in Uncategorized | Comments Off

Our paper entitled Photonics Meets Excitonics: Natural and Artificial Molecular Aggregates was just accepted for publication in Nanophotonics. Congratulations to Semion, Alex, and Stéphanie!

Even More Press Coverage on our Protein Folding Work

Posted by on Nov 24, 2012 in Uncategorized | Comments Off

Our work on the use of the D-Wave quantum computer for protein folding was featured yet again, this time as a News Feature in Nature. Congratulations again to Alejandro, Alán, and our collaborators!

Alán Elected Fellow of the American Physical Society

Posted by on Nov 20, 2012 in Uncategorized | Comments Off

Great news! Alán was elected as a Fellow of the American Physical Society by the Topical Group on Quantum Information.
The nomination is:

For his contributions at the interface of quantum information and chemistry and biology, including theory and experiment in quantum simulation for molecules, the development of the understanding of quantum coherence in photosynthesis, and density functional theory for open quantum systems.

A big congratulations!

Jacob Receives Dudley R. Herschbach Teaching Award

Posted by on Nov 20, 2012 in Uncategorized | Comments Off

Jacob was just presented with the Dudley R. Herschbach Teaching Award at a recent faculty meeting. The award, given annually to one or two chemistry graduate students, “recognizes excellence in teaching and dedication to departmental service.” Congratulations, Jacob!

Aidan Receives Rhodes Scholarship

Posted by on Nov 17, 2012 in Uncategorized | Comments Off

Aidan Daly, one of our amazing undergraduates, was just awarded the Rhodes Scholarship for 2013. Check out the full story in the Harvard Gazette here. Many congratulations, Aidan!

On the Alternatives for Bath Correlators and Spectral Densities from Mixed Quantum-Classical Simulations

Posted by on Nov 13, 2012 in Uncategorized | Comments Off

Our paper entitled On the Alternatives for Bath Correlators and Spectral Densities from Mixed Quantum-Classical Simulations was just accepted for publication in the Journal of Chemical Physics. Congratulations to Stéphanie and Alex!

Faster Quantum Chemistry Simulation on Fault-Tolerant Quantum Computers

Posted by on Oct 29, 2012 in Uncategorized | Comments Off

Our paper entitled Faster Quantum Chemistry Simulation on Fault-Tolerant Quantum Computers was just accepted for publication in the New Journal of Physics. Congratulations to James and Man-Hong!

Electronic Transition Moments of 6-Methyl Isoxanthoptherin — A Fluorescent Analog of the Nucleic Acid Base Guanine

Posted by on Oct 28, 2012 in Uncategorized | Comments Off

Our paper entitled Electronic Transition Moments of 6-Methyl Isoxanthoptherin — A Fluorescent Analog of the Nucleic Acid Base Guanine was just accepted for publication in Nucleic Acids Research. Congratulations to Dmitrij and Alejandro!

A Correlated-Polaron Electronic Propagator: Open Electronic Dynamics Beyond the Born-Oppenheimer Approximation

Posted by on Oct 1, 2012 in Uncategorized | Comments Off

Our paper entitled A Correlated-Polaron Electronic Propagator: Open Electronic Dynamics Beyond the Born-Oppenheimer Approximation was just accepted for publication in the Journal of Chemical Physics. Congratulations to John, Thomas, and David!

Alán Gives Tenure Talk Entitled “Rethinking Spectroscopy: Molecules as Quantum Processors”

Posted by on Sep 20, 2012 in Uncategorized | Comments Off

Congratulations to Alán on giving his tenure talk last week to the entire Department of Chemistry and Chemical Biology here at Harvard. The talk was entitled “Rethinking Spectroscopy: Molecules as Quantum Processors” and concentrated on the group’s efforts at the interface of molecular spectroscopy and quantum information, focusing in particular on Quantum Process Tomography (QPT) for chemistry. As you can see below, it was a full house!

    

2012 Phillips Distinguished Visitor

Posted by on Sep 16, 2012 in Uncategorized | Comments Off

Alán was selected as a 2012 Phillips Distinguished Visitor at Haverford College. Congratulations to Alán!

Compressed Sensing for Multidimensional Spectroscopy Experiments

Posted by on Sep 5, 2012 in Uncategorized | Comments Off

Our paper entitled Compressed Sensing for Multidimensional Spectroscopy Experiments was just accepted for publication in the Journal of Physical Chemistry Letters. Congratulations to Jacob, Semion, Sarah, and Xavier!

Path Integral Monte Carlo with Importance Sampling for Excitons Interacting with an Arbitrary Phonon Bath

Posted by on Aug 27, 2012 in Uncategorized | Comments Off

Our paper entitled Path Integral Monte Carlo with Importance Sampling for Excitons Interacting with an Arbitrary Phonon Bath was just accepted for publication in the Journal of Chemical Physics. Congratulations to Sangwoo!

More Press Coverage on our Work Using Quantum Computers for Protein Folding

Posted by on Aug 17, 2012 in Uncategorized | Comments Off

More exciting news: our work with D-Wave presenting the largest protein folded using a quantum computer continues to be featured in the press! See the coverage by Nature News Blog here and the coverage by Next Big Future here. Congratulations again to Alejandro, Alán, and the rest of the D-Wave protein folding team!

Our Work on Using Quantum Computers for Protein Folding Featured in Popular Press

Posted by on Aug 15, 2012 in Uncategorized | Comments Off

Our work on the use of the D-Wave quantum computer for protein folding was just featured in the popular press! As discussed in the Sacramento Bee, this work presents the largest protein folding problem solved to date using a quantum computer. Check out the newspaper article here. The original paper in Nature Scientific Reports is available here. A big congratulations to Alejandro, Alán, and our collaborators!

Book Review of Neither Physics nor Chemistry: A History of Quantum Chemistry

Posted by on Aug 12, 2012 in Uncategorized | Comments Off

Alán’s book review of Neither Physics nor Chemistry: A History of Quantum Chemistry was just published in Physics Today. The book is by Kostas Gavroglu and Ana Simões. Check out Alán’s review here!

Conformation and Electronic Population Transfer in Membrane Supported Self-Assembled Porphyrin Dimers by 2D Fluorescence Spectroscopy

Posted by on Aug 10, 2012 in Uncategorized | Comments Off

Our paper entitled Conformation and Electronic Population Transfer in Membrane Supported Self-Assembled Porphyrin Dimers by 2D Fluorescence Spectroscopy was just accepted for publication in the Journal of Physical Chemistry B. Congratulations to Alejandro!

Memory-Assisted Exciton Diffusion in the Chlorosome Light-Harvesting Antenna of Green Sulfur Bacteria

Posted by on Aug 9, 2012 in Uncategorized | Comments Off

Our paper entitled Memory-Assisted Exciton Diffusion in the Chlorosome Light-Harvesting Antenna of Green Sulfur Bacteria was just accepted for publication in the Journal of Physical Chemistry Letters. Congratulations to Taka, Jenny, and Semion!

Farewell to Jacob and Alejandro!

Posted by on Aug 1, 2012 in Uncategorized | Comments Off

Last week, we bid farewell to two long-standing group members: Jacob Krich and Alejandro Perdomo. Jacob completed his post-doc in the group and is beginning his new position as Assistant Professor at the University of Ottawa. Alejandro, who completed his Ph.D. in the group, is moving on to be a Postdoctoral Researcher at the NASA Ames Research Center. We were lucky to have both of them, and we wish them the best of luck as they move forward in their new positions. Congratulations to them both!

Clean Energy Project Featured on Clean Energy View Blog

Posted by on Jul 31, 2012 in Uncategorized | Comments Off

The Clean Energy Project was just featured on the Clean Energy View blog. You can read about the project, find out how to participate, and hear a radio interview about the project with Alán. Check it out here! Congratulations to the CEP team.

Application of Compressed Sensing to the Simulation of Atomic Systems

Posted by on Jul 23, 2012 in Uncategorized | Comments Off

Our paper entitled Application of Compressed Sensing to the Simulation of Atomic Systems was just accepted for publication in the Proceedings of the National Academy of Sciences. Congratulations to Xavier and Jacob!

Adrian Jinich Joins Group!

Posted by on Jul 22, 2012 in Uncategorized | Comments Off

Adrian Jinich just joined our group. Adrian is a graduate student in the Systems Biology Program and originally hails from Mexico. Welcome Adrian!

Multipartite Quantum Entanglement Evolution in Photosynthetic Complexes

Posted by on Jul 20, 2012 in Uncategorized | Comments Off

Our paper with Peter Love and his students, Sam Rodriques and Ben Brock, was just accepted for publication in the Journal of Chemical Physics. The paper is entitled Multipartite Quantum Entanglement Evolution in Photosynthetic Complexes. Peter and his students are visiting our group for the summer, and we look forward to a continued productive collaboration!

Alán Interviewed on the Clean Energy View Radio Show

Posted by on Jul 19, 2012 in Uncategorized | Comments Off

Alán was interviewed today on the The Clean Energy View Radio Show to discuss the Clean Energy Project. Check out the interview here.

Quantum Simulator of an Open Quantum System using Superconducting Qubits

Posted by on Jul 17, 2012 in Uncategorized | Comments Off

Our paper entitled Quantum Simulator of an Open Quantum System using Superconducting Qubits: Exciton Transport in Photosynthetic Complexes was just accepted for publication in the New Journal of Physics. Many congratulations to Sarah and Patrick!

Finding Low-Energy Conformations of Lattice Protein Models by Quantum Annealing

Posted by on Jul 17, 2012 in Uncategorized | Comments Off

Our paper entitled Finding Low-Energy Conformations of Lattice Protein Models by Quantum Annealing was just accepted for publication in Scientific Reports. Congratulations to Alejandro!

Johannes Wins Outstanding Poster Award at ICQC

Posted by on Jun 30, 2012 in Uncategorized | Comments Off

Johannes’s poster, entitled “The Harvard Clean Energy Project: Automated, High-Throughput, First-Principles Screening of Organic Photovoltaics on the World Community Grid,” was selected as an Outstanding Poster at the 14th International Congress of Quantum Chemistry (ICQC) in Boulder, Colorado. Congratulations, Johannes!

Clean Energy Project Featured in IBM Video

Posted by on Jun 30, 2012 in Uncategorized | Comments Off

The Clean Energy Project was just featured in a video by IBM entitled Positive Energy: IBM Goes Green Inside and Out. The video includes interviews with Alán, Johannes, and Supriya. Congratulations to the CEP team! You can check out the video here. The video was also just featured on the Smarter Planet Blog; check out the post here.

Unification of witnessing initial system-environment correlations and witnessing non-Markovianity

Posted by on Jun 27, 2012 in Uncategorized | Comments Off

Our paper entitled Unification of witnessing initial system-environment correlations and witnessing non-Markovianity was just accepted for publication in Europhysics Letters. Congratulations to César!

Quantum Mechanics, Squishy Materials, and Extreme Photosynthesis

Posted by on Jun 26, 2012 in Uncategorized | Comments Off

Alán was just featured in an interview on the Massachusetts Green High Performance Computing Center (MGHPCC) blog. Alán and Alfredo Alexander-Katz of MIT discuss how high performance parallel computing are enabling us to study the interplay between biomolecular structure and efficient light harvesting in photosynthetic bacteria, as well as how this could lead to radical new approaches to energy generation. Check the interview out here!

Exciton Transport in Thin-Film Cyanine Dye J-aggregates

Posted by on Jun 14, 2012 in Uncategorized | Comments Off

Our paper entitled Exciton Transport in Thin-Film Cyanine Dye J-aggregates was just accepted for publication in the Journal of Chemical Physics. A big congratulations to Stéphanie, Semion, and Man-Hong!

Nonradiative lifetimes in intermediate band materials — absence of lifetime recovery

Posted by on Jun 8, 2012 in Uncategorized | Comments Off

And our fourth success in just two days! Our paper entitled Nonradiative lifetimes in intermediate band materials — absence of lifetime recovery was just accepted for publication in the Journal of Applied Physics. Congratulations to Jacob Krich!

Can Mixed-Metal Surfaces Provide an Additional Enhancement to SERS?

Posted by on Jun 8, 2012 in Uncategorized | Comments Off

More good news: our paper entitled Can Mixed-Metal Surfaces Provide an Additional Enhancement to SERS? was just accepted for publication in the Journal of Physical Chemistry C. Congratulations to Roberto and Dmitrij!

Two Papers Published in Nature Communications!

Posted by on Jun 7, 2012 in Uncategorized | Comments Off

Exciting news: we just had not one but two papers published in Nature Communications! The first paper is entitled Digital Quantum Simulation of the Statistical Mechanics of a Frustrated Magnet, and the second is entitled Observation of Topologically Protected Bound States in a One Dimensional Photonic System. Congratulations to Man-Hong for the first paper and Ivan for the second! A great day for the group!

Environment-Assisted Quantum Transport in Ordered Systems

Posted by on May 30, 2012 in Uncategorized | Comments Off

Our paper entitled Environment-Assisted Quantum Transport in Ordered Systems was accepted for publication in the New Journal of Physics. Congratulations to Ivan!

Congratulations to our new CCB graduates!

Posted by on May 27, 2012 in Uncategorized | Comments Off

This past Thursday was Commencement Day at Harvard. Congratulations to all of our group members who graduated this year!
From left to right: Alejandro, Joel, Sangwoo, Roberto, Alán, Leslie, David, and Patrick. Congratulations to all!

A witness for coherent electronic vs. vibronic-only oscillations in ultrafast spectroscopy

Posted by on May 18, 2012 in Uncategorized | Comments Off

Our paper entitled A witness for coherent electronic vs. vibronic-only oscillations in ultrafast spectroscopy was accepted for publication in the Journal of Chemical Physics. Congratulations to Joel and Jacob K!

Clean Energy Project Highlighted as Flagship Project for Materials Genome Initiative

Posted by on May 14, 2012 in Uncategorized | Comments Off

Exciting News: Alán was at the White House today at an industry and academia summit for the administration’s Materials Genome Initiative at which the Clean Energy Project was highlighted as one of the flagship projects. This is an amazing honor for the project, the Harvard and IBM teams, and all our crunchers! Go here to check it out! More details on this initiative may be found on this fact sheet, which states:

In one of the largest computational chemistry experiments in history, The Clean Energy Project, led by the Aspuru-Guzik group at Harvard University, is using IBM’s World Community Grid to accelerate the testing of millions of new, simulated organic molecules that might be used for low cost, effective and easily produced materials to conduct and store solar energy. Harvard will work with Wolfram to make the seven million molecules and associated data publicly available by the end of 2012. This effort will provide valuable information to the materials community as it works to collectively to advance the MGI.

Clean Energy Project Receives Time on Trestles Supercomputer at UCSD

Posted by on May 8, 2012 in Uncategorized | Comments Off

The Clean Energy Project is about to get a major boost. Though it has previously relied on a network of home and office personal computers, it is now scheduled for a block of time on the Trestles supercomputer at the University of California, San Diego. See the article on CleanTechnica for further details. Congratulations to the CEP team!

Joel Yuen Successfully Defends Thesis!

Posted by on Apr 30, 2012 in Uncategorized | Comments Off

And yet another successful thesis defense! Today Joel Yuen successfully defended his thesis, entitled A Quantum Information Approach to Ultrafast Spectroscopy. Congratulations, Dr. Yuen!

David Tempel Successfully Defends Thesis!

Posted by on Apr 26, 2012 in Uncategorized | Comments Off

David Tempel successfully defended his thesis, entitled Time-Dependent Density Functional Theory for Open Quantum Systems and Quantum Computation. Congratulations, Dr. Tempel!