Fang Liu

Discovering chemistry with an ab initio nanoreactor

Lee‐Ping Wang, A.V. Titov, Robert T. McGibbon et al. · Nature Chemistry · 2014 · 441 citations · Full text

Ab Initio Nanoreactor, Nanoscale System, Engineering +8

<scp>TeraChem</scp>: A graphical processing unit<scp>‐accelerated</scp> electronic structure package for <scp>large‐scale</scp> ab initio molecular dynamics

Stefan Seritan, Christoph Bannwarth, B. Scott Fales et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2020 · 291 citations · Full text

Engineering, Abstract Terachem, Electron Repulsion Integrals +21

Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models

Fang Liu, Nathan Luehr, Heather J. Kulik et al. · Journal of Chemical Theory and Computation · 2015 · 147 citations · Full text

Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry

Jon Paul Janet, Fang Liu, Aditya Nandy et al. · Inorganic Chemistry · 2019 · 128 citations · Full text

Exploiting Electronic Structure, Engineering, Machine Learning Models +16

An Ab Initio Exciton Model Including Charge-Transfer Excited States

Xin Li, Robert M. Parrish, Fang Liu et al. · Journal of Chemical Theory and Computation · 2017 · 124 citations · Full text

Localized Excited State, Engineering, Excitation Energy Transfer +18