Fang Liu
Emory University(US)University of California, Los Angeles(US)
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies, Protein Structure and Dynamics, Advanced Chemical Physics Studies
Most-Cited Works
- → Discovering chemistry with an ab initio nanoreactor(2014)446 cited
- → Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning(2021)311 cited
- → TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics(2020)294 cited
- → Evolution of the Diels–Alder Reaction Mechanism since the 1930s: Woodward, Houk with Woodward, and the Influence of Computational Chemistry on Understanding Cycloadditions(2020)173 cited
- → Rational Multitargeted Drug Design Strategy from the Perspective of a Medicinal Chemist(2021)150 cited
- → Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models(2015)148 cited