Thomas Miller

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Brett SavoieCoyle Mission Collegiate Professor, University of Notre DameVerifierad e-postadress på nd.edu
Feizhi DingEntos, IncVerifierad e-postadress på entos.ai
David ManolopoulosUniversity of OxfordVerifierad e-postadress på chem.ox.ac.uk
Bin ZhangAssociate Professor, Massachusetts Institute of TechnologyVerifierad e-postadress på mit.edu
Nitash P. BalsaraUniversity of California, Berkeley, and Lawrence Berkeley National LaboratoryVerifierad e-postadress på berkeley.edu
Michiel NiesennferenceVerifierad e-postadress på nference.net
David C. ClaryProfessor of Chemistry, University of OxfordVerifierad e-postadress på chem.ox.ac.uk
Ralph WelschCenter for Free-Electron Laser Science, DESY, HamburgVerifierad e-postadress på desy.de
Nandini AnanthCornell UniversityVerifierad e-postadress på cornell.edu
Kaito MiyamotoToyota Central R & D Labs., Inc.Verifierad e-postadress på mosk.tytlabs.co.jp
Pengfei HuoUniversity of Rochester, Department of ChemistryVerifierad e-postadress på rochester.edu
Ian FinneranVerifierad e-postadress på jila.colorado.edu
Geoffrey A. BlakeProfessor of Planetary Science, California Institute of TechnologyVerifierad e-postadress på gps.caltech.edu
Scott HabershonProfessor, Department of Chemistry, University of Warwick, UKVerifierad e-postadress på warwick.ac.uk
Martina StellaSenior Life Sciences/Quantum Chemistry Researcher@Algorithmiq/Long-term visiting scientist@ICTPVerifierad e-postadress på ictp.it
Thomas MarklandAssociate Professor of Chemistry, Stanford UniversityVerifierad e-postadress på stanford.edu
Stuart AlthorpeUniversity of CambridgeVerifierad e-postadress på cam.ac.uk
David ChandlerProfessor of Chemistry, University of California, BerkeleyVerifierad e-postadress på berkeley.edu
Marco A. AllodiArnold O. Beckman Postdoctoral Fellow, University of ChicagoVerifierad e-postadress på uchicago.edu
Glenn MartynaPimpernel Science, Software and Information TechnologyVerifierad e-postadress på pimpernelllc.com

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Thomas Miller

California Institute of Technology

Verifierad e-postadress på caltech.edu

Theoretical Chemistry Computational Chemistry


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
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	997	2020
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	749	2013
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	426	2012
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	320	2002
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	285	2020
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	257	2012
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	242	2011
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	239	2015
Quantum diffusion in liquid water from ring polymer molecular dynamics TF Miller, DE Manolopoulos The Journal of chemical physics 123 (15), 2005	238	2005
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	234	2018
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	224	2018
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	210	2010
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	203	2018
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	201	2011
Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics TF Miller, DE Manolopoulos The Journal of chemical physics 122 (18), 2005	201	2005
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	198	2017
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	194	2007
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	168	2014
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	155	2017
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	150	2021

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