Thomas F. Miller
Affiliations: | California Institute of Technology, Pasadena, CA |
Area:
Theory and simulation of chemical, biochemical, and soft matter systemsWebsite:
http://millergroup.caltech.edu/Miller_Group/Tom_Miller.htmlGoogle:
"Thomas Miller"Mean distance: 8.35 | S | N | B | C | P |
Parents
Sign in to add mentor| Michael B. Hall | research assistant | 2000 | Texas A & M |
| David C. Clary | grad student | 2005 | Oxford |
| David Chandler | post-doc | 2008 | UC Berkeley |
| William Hughes Miller | post-doc | 2008 | UC Berkeley |
Children
Sign in to add trainee| Zhuoran Qiao | grad student | 2019- | Caltech |
| Bin Zhang | grad student | 2007-2012 | Caltech |
| Jason D. Goodpaster | grad student | 2014 | Caltech |
| Artur R. Menzeleev | grad student | 2014 | Caltech |
| Joshua S. Kretchmer | grad student | 2015 | Caltech |
| Michael A Webb | grad student | 2011-2016 | Caltech |
| Roman Korol | grad student | 2018-2021 | Caltech |
| Lixue Cheng | grad student | 2017-2022 | Caltech |
| Xinglong Zhang | post-doc | 2019- | Caltech |
| Nandini Ananth | post-doc | 2010-2012 | Caltech |
| Bin Zhang | post-doc | 2012-2013 | Caltech |
| Leanne D. Chen | post-doc | 2017-2019 | Caltech |
BETA: Related publications
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Publications
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| Dommer A, Casalino L, Kearns F, et al. (2022) #COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol. The International Journal of High Performance Computing Applications. 37: 28-44 |
| Cheng L, Sun J, Deustua JE, et al. (2022) Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression. The Journal of Chemical Physics. 157: 154105 |
| Lawniczak JJ, Zhang X, Christianson M, et al. (2022) Solution-Phase Conformational/Vibrational Anharmonicity in Comonomer Incorporation Polyolefin Catalysis. The Journal of Physical Chemistry. A |
| Sun J, Cheng L, Miller TF. (2022) Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning. The Journal of Chemical Physics. 157: 104109 |
| Qiao Z, Christensen AS, Welborn M, et al. (2022) Informing geometric deep learning with electronic interactions to accelerate quantum chemistry. Proceedings of the National Academy of Sciences of the United States of America. 119: e2205221119 |
| Cheng L, Sun J, Miller TF. (2022) Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space. Journal of Chemical Theory and Computation |
| Lu F, Cheng L, DiRisio RJ, et al. (2022) Fast Near Potential Energy Surfaces Using Machine Learning. The Journal of Physical Chemistry. A |
| Christensen AS, Sirumalla SK, Qiao Z, et al. (2021) OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy. The Journal of Chemical Physics. 155: 204103 |
| Dommer A, Casalino L, Kearns F, et al. (2021) #COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol. Biorxiv : the Preprint Server For Biology |
| Li B, Zhang X, Stauber JM, et al. (2021) Electronic Structure of Superoxidized Radical Cationic Dodecaborate-Based Clusters. The Journal of Physical Chemistry. A |