Matthew Welborn

发表

A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules

Thomas F. Miller, Lixue Cheng, Matthew Welborn, 2019, The Journal of chemical physics.

Why many semiempirical molecular orbital theories fail for liquid water and how to fix them

Jiahao Chen, Lee-Ping Wang, Matthew Welborn, 2015, J. Comput. Chem..

Database of atomistic reaction mechanisms with application to kinetic Monte Carlo.

Graeme Henkelman, Samuel T Chill, Matthew Welborn, 2012, The Journal of chemical physics.

EON: software for long time simulations of atomic scale systems

Graeme Henkelman, Andreas Pedersen, Jean-Claude Berthet, 2014 .