Roberto Olivares‐Amaya

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

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Program Package, Engineering, Theoretical Inorganic Chemistry +22

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

Johannes Hachmann, Roberto Olivares‐Amaya, Şule Atahan-Evrenk et al. · The Journal of Physical Chemistry Letters · 2011 · 675 citations · Full text

The <i>ab-initio</i> density matrix renormalization group in practice

Roberto Olivares‐Amaya, Weifeng Hu, Naoki Nakatani et al. · The Journal of Chemical Physics · 2015 · 359 citations · Full text

Electron Density, Chemical Thermodynamics, Transition Metal Dimers +15

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

Johannes Hachmann, Roberto Olivares‐Amaya, Adrián Jinich et al. · Energy & Environmental Science · 2013 · 261 citations · Full text

High-performance Organic Photovoltaics, Engineering, Organic Solar Cell +20

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

Roberto Olivares‐Amaya, Carlos Amador‐Bedolla, Johannes Hachmann et al. · Energy & Environmental Science · 2011 · 207 citations

Accelerated Computational Discovery, Engineering, Machine Learning +24