دنبال کردن
Thomas Miller
Thomas Miller
California Institute of Technology
ایمیل تأیید شده در caltech.edu
عنوان
نقل شده توسط
نقل شده توسط
سال
The Molpro quantum chemistry package‏
HJ Werner, PJ Knowles, FR Manby, JA Black, K Doll, A Heßelmann, ...‏
The Journal of chemical physics 152 (14), 2020‏
9352020
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 (1), 387-413, 2013‏
7232013
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
4182012
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
3172002
OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features‏
Z Qiao, M Welborn, A Anandkumar, FR Manby, TF Miller‏
The Journal of chemical physics 153 (12), 2020‏
2692020
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
2502012
Visualizing Electronic Chirality and Berry Phases in Graphene Systems<? format?> Using Photoemission with Circularly Polarized Light‏
Y Liu, G Bian, T Miller, TC Chiang‏
Physical Review Letters 107 (16), 166803, 2011‏
2402011
Quantum diffusion in liquid water from ring polymer molecular dynamics‏
TF Miller, DE Manolopoulos‏
The Journal of chemical physics 123 (15), 2005‏
2362005
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
2312015
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
2212018
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
2142018
Exact nonadditive kinetic potentials for embedded density functional theory‏
JD Goodpaster, N Ananth, FR Manby, TF Miller‏
The Journal of chemical physics 133 (8), 2010‏
2032010
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
2002018
Dynamics and dissipation in enzyme catalysis‏
N Boekelheide, R Salomón-Ferrer, TF Miller III‏
Proceedings of the National Academy of Sciences 108 (39), 16159-16163, 2011‏
2002011
Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics‏
TF Miller, DE Manolopoulos‏
The Journal of chemical physics 122 (18), 2005‏
1992005
Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain‏
TF Miller III, E Vanden-Eijnden, D Chandler‏
Proceedings of the National Academy of Sciences 104 (37), 14559-14564, 2007‏
1972007
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
1902017
Accurate and systematically improvable density functional theory embedding for correlated wavefunctions‏
JD Goodpaster, TA Barnes, FR Manby, TF Miller‏
The Journal of chemical physics 140 (18), 2014‏
1642014
Enhancing cation diffusion and suppressing anion diffusion via Lewis-acidic polymer electrolytes‏
BM Savoie, MA Webb, TF Miller III‏
The journal of physical chemistry letters 8 (3), 641-646, 2017‏
1532017
Strengthening consumer trust in beef supply chain traceability with a blockchain-based human-machine reconcile mechanism‏
S Cao, W Powell, M Foth, V Natanelov, T Miller, U Dulleck‏
Computers and electronics in agriculture 180, 105886, 2021‏
1392021
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20