Tao Fang

An efficient fragment-based approach for predicting the ground-state energies and structures of large molecules.

Wei Li, Shuhua Li, Shuhua Li, 2005, Journal of the American Chemical Society.

A fragment energy assembler method for Hartree-Fock calculations of large molecules.

Wei Li, Shuhua Li, Shuhua Li, 2006, The Journal of chemical physics.

Geometry optimizations and vibrational spectra of large molecules from a generalized energy-based fragmentation approach.

Wei Li, Jian-Guo Yu, Shuhua Li, 2008, The journal of physical chemistry. A.

Ab initio molecular dynamics with intramolecular noncovalent interactions for unsolvated polypeptides

Shuhua Li, Wei Li, Tao Fang, 2016, Theoretical Chemistry Accounts.

The Energy‐Based Fragmentation Approach for Ab Initio Calculations of Large Systems

W. Li, Shuhua Li, Tao Fang, 2011 .