Thomas F. Miller

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


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Roman Korol grad student 2018- 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
Nandini Ananth post-doc 2010-2012 Caltech
Bin Zhang post-doc 2012-2013 Caltech
Leanne D Chen post-doc 2017-2019 Caltech
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Rosa-Raíces JL, Zhang B, Miller TF. (2019) Path-accelerated stochastic molecular dynamics: Parallel-in-time integration using path integrals. The Journal of Chemical Physics. 151: 164120
Cheng L, Kovachki NB, Welborn M, et al. (2019) Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning. Journal of Chemical Theory and Computation
Korol R, Bou-Rabee N, Miller TF. (2019) Cayley modification for strongly stable path-integral and ring-polymer molecular dynamics. The Journal of Chemical Physics. 151: 124103
Jiang H, Kammler M, Ding F, et al. (2019) Imaging covalent bond formation by H atom scattering from graphene. Science (New York, N.Y.). 364: 379-382
Lee SJR, Welborn M, Manby FR, et al. (2019) Projection-Based Wavefunction-in-DFT Embedding. Accounts of Chemical Research
Cheng L, Welborn M, Christensen AS, et al. (2019) A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules. The Journal of Chemical Physics. 150: 131103
Davis VK, Bates CM, Omichi K, et al. (2018) Room-temperature cycling of metal fluoride electrodes: Liquid electrolytes for high-energy fluoride ion cells. Science (New York, N.Y.). 362: 1144-1148
Niesen MJM, Müller-Lucks A, Hedman R, et al. (2018) Forces on Nascent Polypeptides during Membrane Insertion and Translocation via the Sec Translocon. Biophysical Journal
Welborn M, Manby FR, Miller TF. (2018) Even-handed subsystem selection in projection-based embedding. The Journal of Chemical Physics. 149: 144101
Welborn M, Cheng L, Miller TF. (2018) Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis. Journal of Chemical Theory and Computation
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