Thomas F. Miller

California Institute of Technology, Pasadena, CA 
Theory and simulation of chemical, biochemical, and soft matter systems
"Thomas Miller"
Mean distance: 8.35


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


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


You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

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
See more...