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ACS Central Science|November 4, 2020
Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Data SetSagi Eppel, Haoping Xu, Mor Bismuth, et al.
The Journal of Chemical Physics|March 20, 2012
Exciton coherence lifetimes from electronic structureJohn A Parkhill, David G Tempel, Alan Aspuru-Guzik
The Journal of Chemical Physics|December 20, 2012
A correlated-polaron electronic propagator: open electronic dynamics beyond the Born-Oppenheimer approximationJohn A Parkhill, Thomas Markovich, David G Tempel, et al.
ACS Central Science|March 31, 2022
Correction to "Generative Adversarial Networks for Crystal Structure Prediction"Sungwon Kim, Juhwan Noh, Geun Ho Gu, et al.
The Journal of Chemical Physics|July 23, 2004
Quantum Monte Carlo for electronic excitations of free-base porphyrinAlan Aspuru-Guzik, Ouafae El Akramine, Jeffrey C Grossman, et al.
ACS Central Science|September 3, 2020
Generative Adversarial Networks for Crystal Structure PredictionSungwon Kim, Juhwan Noh, Geun Ho Gu, et al.
The Journal of Physical Chemistry. A|January 31, 2008
Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing unitsLeslie Vogt, Roberto Olivares-Amaya, Sean Kermes, et al.
Chemical Science|September 29, 2025
A borindolizine platform for the design of fluorophores with tunable emissionsChirag N Apte, Nicholas W Heller, Ben Zhen Huang, et al.
Chemical Science|July 12, 2024
From computational screening to the synthesis of a promising OER catalystSai Govind Hari Kumar, Carlota Bozal-Ginesta, Ning Wang, et al.
Angewandte Chemie (International Ed. in English)|October 10, 2015
Charge Tunneling along Short Oligoglycine ChainsMostafa Baghbanzadeh, Carleen M Bowers, Dmitrij Rappoport, et al.
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