Fang Liu
0000-0003-1322-4997
Stanford Medicine
11 papers found
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Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning
Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery
Cover Image, Volume 11, Issue 2
Navigating Transition-Metal Chemical Space: Artificial Intelligence for First-Principles Design
TeraChem : A graphical processing unit ‐accelerated electronic structure package for large‐scale ab initio molecular dynamics
Semi-Supervised Machine Learning Enables the Robust Detection of Multireference Character at Low Cost
Data-Driven Approaches Can Overcome the Cost–Accuracy Trade-Off in Multireference Diagnostics
Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models
Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry
Self-consistent implementation of ensemble density functional theory method for multiple strongly correlated electron pairs
Communication: A difference density picture for the self-consistent field ansatz
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