R. Olivares-Amaya

发表

Anion Stabilization in Electrostatic Environments how this access benefits you. Your story matters

X. Andrade, A. Aspuru‐Guzik, M. Watson, 2011 .

The ab-initio density matrix renormalization group in practice.

Garnet Kin-Lic Chan, Naoki Nakatani, Roberto Olivares-Amaya, 2015, The Journal of chemical physics.

The Harvard Clean Energy Project. Large-scale computational screening and design of molecular motifs for organic photovoltaics on the World Community Grid

Alán Aspuru-Guzik, Roberto Olivares-Amaya, Carlos Amador-Bedolla, 2011 .

The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid

Alán Aspuru-Guzik, Roberto Olivares-Amaya, Carlos Amador-Bedolla, 2011 .

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

Quantum Chemistry in Nanoscale Environments: Insights on Surface-Enhanced Raman Scattering and Organic Photovoltaics

Roberto Olivares-Amaya, R. Olivares-Amaya, 2012 .

Anion Stabilization in Electrostatic Environments

Xavier Andrade, Roberto Olivares-Amaya, Michael Stopa, 2011 .

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

Alán Aspuru-Guzik, Roberto Olivares-Amaya, Carlos Amador-Bedolla, 2011 .

Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units

Alán Aspuru-Guzik, Roberto Olivares-Amaya, Mark A Watson, 2010, Computing in Science & Engineering.

GPU Acceleration of Second‐Order Møller–Plesset Perturbation Theory with Resolution of Identity

A. Aspuru‐Guzik, Roberto Olivares-Amaya, M. Watson, 2016 .

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

Alán Aspuru-Guzik, Zhenan Bao, Süleyman Er, 2014 .

Topological and Electronic Structure of Heterocyclic Compounds Adsorbed on Hydrotreating Catalysts

J. Aburto, I. García-Cruz, D. Valencia, 2013, Catalysis Letters.

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

E. Mazur, Alán Aspuru-Guzik, Dmitrij Rappoport, 2012 .

Electronic structure calculations in arbitrary electrostatic environments.

Alán Aspuru-Guzik, Roberto Olivares-Amaya, Mark A Watson, 2012, The Journal of chemical physics.

Time-dependent density functional theory of open quantum systems in the linear-response regime.

A. Aspuru‐Guzik, M. Watson, D. G. Tempel, 2010, The Journal of chemical physics.

On the chemical bonding effects in the Raman response: benzenethiol adsorbed on silver clusters.

A. Aspuru‐Guzik, Dmitrij Rappoport, S. Saikin, 2009, Physical chemistry chemical physics : PCCP.

First-principles screening and design of organic photovoltaic materials on the World Community Grid

Alán Aspuru-Guzik, Roberto Olivares-Amaya, Johannes Hachmann, 2010 .

The Harvard Clean Energy Project: High-throughput screening of organic photovoltaic materials using cheminformatics, machine learning, and pattern recognition

Alán Aspuru-Guzik, Sergio Boixo, Roberto Olivares-Amaya, 2012 .

Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing units.

Yihan Shao, Roberto Olivares-Amaya, Carlos Amador-Bedolla, 2008, The journal of physical chemistry. A.

Accelerating Resolution-ofthe-Identity Second Order Møller-Plesset Quantum Chemistry Calculations with Graphical Processing Units

Alán Aspuru-Guzik, Yihan Shao, Roberto Olivares-Amaya, 2007 .

Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions

Alán Aspuru-Guzik, Dmitrij Rappoport, Benjamín Sánchez-Lengeling, 2014, Scientific Reports.

Chapter 17 – Organic Photovoltaics

Alán Aspuru-Guzik, J. Hachmann, C. Amador-Bedolla, 2013 .

Creating a GUI for Zori, a Quantum Monte Carlo Program

Roberto Olivares-Amaya, Romelia Salomón-Ferrer, William A. Lester, 2009, Computing in Science & Engineering.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Michael W. Schmidt, Shawn T. Brown, Igor Ying Zhang, 2014, Molecular Physics.

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

Alán Aspuru-Guzik, J. Hachmann, C. Amador-Bedolla, 2011 .

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

Alán Aspuru-Guzik, J. Hachmann, C. Amador-Bedolla, 2011 .

The ab-initio density matrix renormalization group in practice.

G. Chan, Sandeep Sharma, N. Nakatani, 2015, The Journal of chemical physics.

Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication Library.

Alán Aspuru-Guzik, Y. Shao, M. Watson, 2010, Journal of chemical theory and computation.

Supporting Information for: “Hidden Hemibonding in the Aqueous Hydroxyl Radical”

W. Goddard, A. Dutoi, S. Levchenko, 2021 .