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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)

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|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

2 joint publications

Michiel J M Niesen

2 joint publications

Konstantinos P Giapis

2 joint publications

Oliver Bünermann

2 joint publications

Alec M Wodtke

2 joint publications

Jay R Winkler

2 joint publications

Brett M Savoie

Frequent Collaborators

3 joint publications

Lixue Cheng

3 joint publications

Frederick R Manby

3 joint publications

Xinglong Zhang

2 joint publications

Hongyan Jiang

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