2022

2021

2020

Gómez-Bombarelli R, Aspuru-Guzik A. Machine learning and big-data in computational chemistry. Handbook of Materials Modeling: Methods: Theory and Modeling. 2020;:1939–1962.
Schwalbe-Koda D, Gómez-Bombarelli R. Generative Models for Automatic Chemical Design. In: Schütt KT, Chmiela S, O. von Lilienfeld A, Tkatchenko A, Tsuda K, Müller K-R. Machine Learning Meets Quantum Physics. Cham: Springer International Publishing; 2020. pp. 445 - 467.

2019

2018

2017

2016

2015

Aspuru-Guzik A, Adams R, Baldo M, Aguilera-Iparraguirre J, Gómez-Bombarelli R. Combinatorial design of OLED-emitting materials. In Digest of Technical Papers - SID International Symposium. 2015.

2014

Irish EK, Gómez-Bombarelli R, Lovett BW. Vibration-assisted resonance in photosynthetic excitation-energy transfer. Physical Review A - Atomic, Molecular, and Optical Physics. 2014;90.

2013

2012

2011

2010

2009

2008

2007

2006