Brian C. Barnes

Reaction Coordinate of Incipient Methane Clathrate Hydrate Nucleation

Brian C. Barnes, Brandon C. Knott, Gregg T. Beckham et al. · The Journal of Physical Chemistry B · 2014 · 102 citations

Natural Sciences, Chemistry, Biomolecular Modeling +15

Prediction of Energetic Material Properties from Electronic Structure Using 3D Convolutional Neural Networks

Alex Casey, Steven F. Son, Ilias Bilionis et al. · Journal of Chemical Information and Modeling · 2020 · 95 citations

Natural Sciences, Chemistry, Physics +17

Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning

Michael Fortunato, Connor W. Coley, Brian C. Barnes et al. · Journal of Chemical Information and Modeling · 2020 · 84 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +15

Advances in molecular simulations of clathrate hydrates

Brian C. Barnes, Amadeu K. Sum · Current Opinion in Chemical Engineering · 2013 · 77 citations

Natural Sciences, Chemistry, Materials Science +14

Nucleation rate analysis of methane hydrate from molecular dynamics simulations

Daisuke Yuhara, Brian C. Barnes, Donguk Suh et al. · Faraday Discussions · 2015 · 77 citations · Full text

Natural Sciences, Chemistry, Physics +16