Thomas Miller
Thomas Miller
caltech.edu üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
Ring-polymer molecular dynamics: Quantum effects in chemical dynamics from classical trajectories in an extended phase space
S Habershon, DE Manolopoulos, TE Markland, TF Miller III
Annual review of physical chemistry 64, 387-413, 2013
4892013
A simple, exact density-functional-theory embedding scheme
FR Manby, M Stella, JD Goodpaster, TF Miller III
Journal of chemical theory and computation 8 (8), 2564-2568, 2012
2862012
Symplectic quaternion scheme for biophysical molecular dynamics
TF Miller Iii, M Eleftheriou, P Pattnaik, A Ndirango, D Newns, GJ Martyna
The Journal of chemical physics 116 (20), 8649-8659, 2002
2622002
Quantum diffusion in liquid water from ring polymer molecular dynamics
TF Miller III, DE Manolopoulos
The Journal of chemical physics 123 (15), 154504, 2005
1862005
Suppression of dendrite formation via pulse charging in rechargeable lithium metal batteries
MZ Mayers, JW Kaminski, TF Miller III
The Journal of Physical Chemistry C 116 (50), 26214-26221, 2012
1782012
Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain
TF Miller, E Vanden-Eijnden, D Chandler
Proceedings of the National Academy of Sciences 104 (37), 14559-14564, 2007
1772007
Exact nonadditive kinetic potentials for embedded density functional theory
JD Goodpaster, N Ananth, FR Manby, TF Miller III
The Journal of chemical physics 133 (8), 084103, 2010
1732010
Dynamics and dissipation in enzyme catalysis
N Boekelheide, R Salomón-Ferrer, TF Miller
Proceedings of the National Academy of Sciences 108 (39), 16159-16163, 2011
1652011
Visualizing electronic chirality and berry phases in graphene systems using photoemission with circularly polarized light
Y Liu, G Bian, T Miller, TC Chiang
Physical review letters 107 (16), 166803, 2011
1622011
Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics
TF Miller III, DE Manolopoulos
The Journal of chemical physics 122 (18), 184503, 2005
1612005
Systematic computational and experimental investigation of lithium-ion transport mechanisms in polyester-based polymer electrolytes
MA Webb, Y Jung, DM Pesko, BM Savoie, U Yamamoto, GW Coates, ...
ACS central science 1 (4), 198-205, 2015
1392015
Designing polymer electrolytes for safe and high capacity rechargeable lithium batteries
TF Miller III, ZG Wang, GW Coates, NP Balsara
Accounts of chemical research 50 (3), 590-593, 2017
1282017
Accurate and systematically improvable density functional theory embedding for correlated wavefunctions
JD Goodpaster, TA Barnes, FR Manby, TF Miller III
The Journal of chemical physics 140 (18), 18A507, 2014
1212014
Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods
AR Menzeleev, N Ananth, TF Miller III
The Journal of chemical physics 135 (7), 074106, 2011
1182011
Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO2 Reduction
A Chapovetsky, M Welborn, JM Luna, R Haiges, TF Miller III, ...
ACS central science 4 (3), 397-404, 2018
1172018
The Molpro quantum chemistry package
HJ Werner, PJ Knowles, FR Manby, JA Black, K Doll, A Heßelmann, ...
The Journal of chemical physics 152 (14), 144107, 2020
1142020
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
M Welborn, L Cheng, TF Miller III
Journal of Chemical Theory and Computation 14 (9), 4772–4779, 2018
1122018
Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions
AR Menzeleev, F Bell, TF Miller III
The Journal of chemical physics 140 (6), 064103, 2014
1092014
Density functional theory embedding for correlated wavefunctions: Improved methods for open-shell systems and transition metal complexes
JD Goodpaster, TA Barnes, FR Manby, TF Miller III
The Journal of chemical physics 137 (22), 224113, 2012
972012
Room-temperature cycling of metal fluoride electrodes: Liquid electrolytes for high-energy fluoride ion cells
VK Davis, CM Bates, K Omichi, BM Savoie, N Momčilović, Q Xu, WJ Wolf, ...
Science 362 (6419), 1144-1148, 2018
922018
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