Thomas F Miller Iii

36PUBLICATIONS
71CO-AUTHORS
Powder and particle technologyStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterPolymerisation mechanismsDeep learningEvolutionary computation
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Publications (36)

|Jan 06, 2023
Exploring PROTAC Cooperativity with Coarse-Grained Alchemical Methods.

Huanghao Mai, Matthew H Zimmer, Thomas F Miller

|Oct 22, 2022
Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression.

Lixue Cheng, Jiace Sun, J Emiliano Deustua

|Sep 22, 2022
Solution-Phase Conformational/Vibrational Anharmonicity in Comonomer Incorporation Polyolefin Catalysis.

James J Lawniczak, Xinglong Zhang, Matthew Christianson

|Sep 15, 2022
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning.

Jiace Sun, Lixue Cheng, Thomas F Miller

|Jul 28, 2022
Informing geometric deep learning with electronic interactions to accelerate quantum chemistry.

Zhuoran Qiao, Anders S Christensen, Matthew Welborn

|Jul 20, 2022
Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space.

Lixue Cheng, Jiace Sun, Thomas F Miller

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Frequent Collaborators

3 joint publications

Lixue Cheng

3 joint publications

Frederick R Manby

3 joint publications

Xinglong Zhang

2 joint publications

Hongyan Jiang