Publications

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A

Mandra, Salvatore, Gian Giacomo Guerreschi, and Alan Aspuru-Guzik. “Adiabatic Quantum Optimization In The Presence Of Discrete Noise: Reducing The Problem Dimensionality”. Physical Review A 92. Physical Review A (2015). doi:10.1103/PhysRevA.92.062320.

Shao, Yihan, Zhengting Gan, Evgeny Epifanovsky, Andrew TB Gilbert, Michael Wormit, Joerg Kussmann, Adrian W Lange, et al.. “Advances In Molecular Quantum Chemistry Contained In The Q-Chem 4 Program Package”. Molecular Physics 113. Molecular Physics (2015): 184-215. doi:10.1080/00268976.2014.952696.

C

Babbush, Ryan, Jarrod McClean, Dave Wecker, Alan Aspuru-Guzik, and Nathan Wiebe. “Chemical Basis Of Trotter-Suzuki Errors In Quantum Chemistry Simulation”. Physical Review A 91. Physical Review A (2015). doi:10.1103/PhysRevA.91.022311.

McClean, Jarrod R, and Alan Aspuru-Guzik. “Clock Quantum Monte Carlo Technique: An Imaginary-Time Method For Real-Time Quantum Dynamics”. Physical Review A 91. Physical Review A (2015). doi:10.1103/PhysRevA.91.012311.

Er, Suleyman, Changwon Suh, Michael P Marshak, and Alan Aspuru-Guzik. “Computational Design Of Molecules For An All-Quinone Redox Flow Battery”. Chemical Science 6. Chemical Science (2015): 885-893. doi:10.1039/c4sc03030c.

D

Hongo, Kenta, Mark A Watson, Toshiaki Iitaka, Alan Aspuru-Guzik, and Ryo Maezono. “Diffusion Monte Carlo Study Of Para-Diiodobenzene Polymorphism Revisited”. Journal Of Chemical Theory And Computation 11. Journal Of Chemical Theory And Computation (2015): 907-917. doi:10.1021/ct500401p.

F

Sawaya, Nicolas PD, Joonsuk Huh, Takatoshi Fujita, Semion K Saikin, and Alan Aspuru-Guzik. “Fast Delocalization Leads To Robust Long-Range Excitonic Transfer In A Large Quantum Chlorosome Model”. Nano Letters 15. Nano Letters (2015): 1722-1729. doi:10.1021/nl504399d.

L

Pyzer-Knapp, Edward O, Kewei Li, and Alan Aspuru-Guzik. “Learning From The Harvard Clean Energy Project: The Use Of Neural Networks To Accelerate Materials Discovery”. Advanced Functional Materials 25. Advanced Functional Materials (2015): 6495-6502. doi:10.1002/adfm.201501919.

P

Johnson, Allan S, Joel Yuen-Zhou, Alan Aspuru-Guzik, and Jacob J Krich. “Practical Witness For Electronic Coherences”. Journal Of Chemical Physics 141. Journal Of Chemical Physics (2014). doi:10.1063/1.4903982.

S

Gelbwaser-Klimovsky, David, and Alan Aspuru-Guzik. “Strongly Coupled Quantum Heat Machines”. Journal Of Physical Chemistry Letters 6. Journal Of Physical Chemistry Letters (2015): 3477-3482. doi:10.1021/acs.jpclett.5b01404.

U

Zubarev, Dmitry Yu, Dmitrij Rappoport, and Alan Aspuru-Guzik. “Uncertainty Of Prebiotic Scenarios: The Case Of The Non-Enzymatic Reverse Tricarboxylic Acid Cycle”. Scientific Reports 5. Scientific Reports (2015). doi:10.1038/srep08009.

Diao, Ying, Kristina M Lenn, Wen-Ya Lee, Martin A Blood-Forsythe, Jie Xu, Yisha Mao, Yeongin Kim, et al.. “Understanding Polymorphism In Organic Semiconductor Thin Films Through Nanoconfinement”. Journal Of The American Chemical Society 136. Journal Of The American Chemical Society (2014): 17046-17057. doi:10.1021/ja507179d.