Thomas F Miller

15PUBLICATIONS
28CO-AUTHORS
Theoretical quantum chemistryMathematical aspects of general relativityStatistical mechanics in chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Reaction kinetics and dynamics
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Publications (15)

|Dec 02, 2021
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy.

Anders S Christensen, Sai Krishna Sirumalla, Zhuoran Qiao

|Apr 03, 2021
Analytical gradients for molecular-orbital-based machine learning.

Sebastian J R Lee, Tamara Husch, Feizhi Ding

|Feb 16, 2021
Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states.

Tamara Husch, Jiace Sun, Lixue Cheng

|Jan 15, 2021
A generalized class of strongly stable and dimension-free T-RPMD integrators.

Jorge L Rosa-Raíces, Jiace Sun, Nawaf Bou-Rabee

|Oct 02, 2020
OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features.

Zhuoran Qiao, Matthew Welborn, Animashree Anandkumar

|Apr 17, 2020
The Molpro quantum chemistry package.

Hans-Joachim Werner, Peter J Knowles, Frederick R Manby

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Frequent Collaborators

4 joint publications

Frederick R Manby

3 joint publications

Nawaf Bou-Rabee

2 joint publications

Lixue Cheng

2 joint publications

Anders S Christensen