Alán Aspuru-Guzik
Affiliations: | Chemistry and Chemical Biology | Harvard University, Cambridge, MA, United States |
Area:
energy transfer in photosynthetic complexes, spectroscopy of molecules in nanoscale environmentsWebsite:
http://aspuru.chem.harvard.edu/about-alan/Google:
"Alán Aspuru-Guzik"Mean distance: 7.99 | S | N | B | C | P |
Parents
Sign in to add mentorCarlos Amador-Bedolla | research assistant | 1999 | UNAM | |
William A. Lester, Jr | grad student | 2004 | UC Berkeley | |
(Solving Schrodinger's equation using random walks) | ||||
Martin Head-Gordon | post-doc | 2005-2006 | UC Berkeley |
Children
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Publications
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Tom G, Schmid SP, Baird SG, et al. (2024) Self-Driving Laboratories for Chemistry and Materials Science. Chemical Reviews |
Hari Kumar SG, Bozal-Ginesta C, Wang N, et al. (2024) From computational screening to the synthesis of a promising OER catalyst. Chemical Science. 15: 10556-10570 |
Strieth-Kalthoff F, Hao H, Rathore V, et al. (2024) Delocalized, asynchronous, closed-loop discovery of organic laser emitters. Science (New York, N.Y.). 384: eadk9227 |
Poirier N, Kottmann JS, Aspuru-Guzik A, et al. (2024) Range-separated density functional theory using multiresolution analysis and quantum computing. Journal of Computational Chemistry |
Nigam A, Pollice R, Friederich P, et al. (2024) Artificial design of organic emitters a genetic algorithm enhanced by a deep neural network. Chemical Science. 15: 2618-2639 |
Back S, Aspuru-Guzik A, Ceriotti M, et al. (2023) Accelerated chemical science with AI. Digital Discovery. 3: 23-33 |
Pablo-García S, Morandi S, Vargas-Hernández RA, et al. (2023) Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks. Nature Computational Science. 3: 433-442 |
Krasecki VK, Sharma A, Cavell AC, et al. (2023) The Role of Experimental Noise in a Hybrid Classical-Molecular Computer to Solve Combinatorial Optimization Problems. Acs Central Science. 9: 1453-1465 |
Lo S, Seifrid M, Gaudin T, et al. (2023) Augmenting Polymer Datasets by Iterative Rearrangement. Journal of Chemical Information and Modeling |
Vargas-Hernández RA, Jorner K, Pollice R, et al. (2023) Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation. The Journal of Chemical Physics. 158: 104801 |