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Roberto Olivares-Amaya
Roberto Olivares-Amaya
Vice President, Machine Learning
Bestätigte E-Mail-Adresse bei lifeminetx.com
Titel
Zitiert von
Zitiert von
Jahr
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
29812015
The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid
J Hachmann, R Olivares-Amaya, S Atahan-Evrenk, C Amador-Bedolla, ...
The Journal of Physical Chemistry Letters 2, 2241-2251, 2011
6922011
The ab-initio density matrix renormalization group in practice
R Olivares-Amaya, W Hu, N Nakatani, S Sharma, J Yang, GK Chan
The Journal of chemical physics 142 (3), 2015
3532015
Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry–the Harvard Clean Energy Project
J Hachmann, R Olivares-Amaya, A Jinich, AL Appleton, ...
Energy & Environmental Science 7 (2), 698-704, 2014
2602014
Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics
R Olivares-Amaya, C Amador-Bedolla, J Hachmann, S Atahan-Evrenk, ...
Energy Environ. Sci., 2011
2122011
Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing units
L Vogt, R Olivares-Amaya, S Kermes, Y Shao, C Amador-Bedolla, ...
The Journal of Physical Chemistry A 112 (10), 2049-2057, 2008
1742008
On the chemical bonding effects in the Raman response: Benzenethiol adsorbed on silver clusters
SK Saikin, R Olivares-Amaya, D Rappoport, M Stopa, A Aspuru-Guzik
Phys. Chem. Chem. Phys. 11 (41), 9401-9411, 2009
1212009
Accelerating correlated quantum chemistry calculations using graphical processing units and a mixed precision matrix multiplication library
R Olivares-Amaya, MA Watson, RG Edgar, L Vogt, Y Shao, ...
Journal of Chemical Theory and Computation 6 (1), 135-144, 2009
1022009
Accelerating correlated quantum chemistry calculations using graphical processing units
M Watson, R Olivares-Amaya, RG Edgar, A Aspuru-Guzik
Computing in Science & Engineering 12 (4), 40-51, 2010
552010
Quantum chemical approach to estimating the thermodynamics of metabolic reactions
A Jinich, D Rappoport, I Dunn, B Sanchez-Lengeling, R Olivares-Amaya, ...
Scientific reports 4 (1), 7022, 2014
542014
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Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Chem. Commun 54, 6883-6886, 2018
362018
Time-dependent density functional theory of open quantum systems in the linear-response regime
DG Tempel, MA Watson, R Olivares-Amaya, A Aspuru-Guzik
The Journal of chemical physics 134 (7), 2011
352011
Organic photovoltaics
C Amador-Bedolla, R Olivares-Amaya, J Hachmann, A Aspuru-Guzik
Informatics for Materials Science and Engineering, 423-442, 2013
252013
Anion Stabilization in Electrostatic Environments
R Olivares-Amaya, M Stopa, X Andrade, MA Watson, A Aspuru-Guzik
The Journal of Physical Chemistry Letters 2, 682-688, 2011
212011
Can mixed-metal surfaces provide an additional enhancement to SERS?
R Olivares-Amaya, D Rappoport, PA Munoz, P Peng, E Mazur, ...
The Journal of Physical Chemistry C 116 (29), 15568-15575, 2012
202012
Electronic structure calculations in arbitrary electrostatic environments
MA Watson, D Rappoport, EMY Lee, R Olivares-Amaya, A Aspuru-Guzik
The Journal of Chemical Physics 136 (2), 2012
182012
Systems and methods for genomic analysis
AQ Zarate, R Olivares-amaya, TJ Watson Jr, HC Van Aggelen, ...
US Patent App. 15/750,350, 2020
132020
Creating a GUI for Zori, a Quantum Monte Carlo Program
R Olivares-Amaya, R Salomon-Ferrer, WA Lester, C Amador-Bedolla
Computing in Science & Engineering 11 (1), 41-47, 2008
112008
Methods and systems for biological sequence alignment
R Godinez-moreno, A Quiroz-zarate, PG Coste, R Olivares-amaya, ...
US Patent App. 15/123,281, 2017
92017
Topological and electronic structure of heterocyclic compounds adsorbed on hydrotreating catalysts
D Valencia, R Olivares-Amaya, J Aburto, I García-Cruz
Catalysis letters 143, 1354-1361, 2013
82013
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