Thomas Markland
Thomas Markland
Associate Professor of Chemistry, Stanford University
Verified email at stanford.edu - Homepage
TitleCited byYear
Competing quantum effects in the dynamics of a flexible water model
S Habershon, TE Markland, DE Manolopoulos
The journal of chemical physics 131 (2), 024501, 2009
3522009
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
3502013
Nuclear quantum effects in water and aqueous systems: Experiment, theory, and current challenges
M Ceriotti, W Fang, PG Kusalik, RH McKenzie, A Michaelides, ...
Chemical reviews 116 (13), 7529-7550, 2016
1982016
Efficient stochastic thermostatting of path integral molecular dynamics
M Ceriotti, M Parrinello, TE Markland, DE Manolopoulos
The Journal of chemical physics 133 (12), 124104, 2010
1872010
Growing point-to-set length scale correlates with growing relaxation times in model supercooled liquids
GM Hocky, TE Markland, DR Reichman
Physical review letters 108 (22), 225506, 2012
1342012
An efficient ring polymer contraction scheme for imaginary time path integral simulations
TE Markland, DE Manolopoulos
The Journal of chemical physics 129 (2), 024105, 2008
1152008
Unraveling quantum mechanical effects in water using isotopic fractionation
TE Markland, BJ Berne
Proceedings of the National Academy of Sciences 109 (21), 7988-7991, 2012
942012
Quantum fluctuations can promote or inhibit glass formation
TE Markland, JA Morrone, BJ Berne, K Miyazaki, E Rabani, DR Reichman
Nature Physics 7 (2), 134, 2011
812011
A refined ring polymer contraction scheme for systems with electrostatic interactions
TE Markland, DE Manolopoulos
Chemical Physics Letters 464 (4-6), 256-261, 2008
742008
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice
TE Markland, S Habershon, DE Manolopoulos
The Journal of chemical physics 128 (19), 194506, 2008
662008
Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics
A Kelly, TE Markland
The Journal of chemical physics 139, 014104, 2013
632013
Efficient methods and practical guidelines for simulating isotope effects
M Ceriotti, TE Markland
The Journal of chemical physics 138 (1), 014112, 2013
622013
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site
L Wang, SD Fried, SG Boxer, TE Markland
Proceedings of the National Academy of Sciences 111 (52), 18454-18459, 2014
592014
Reduced density matrix hybrid approach: Application to electronic energy transfer
TC Berkelbach, TE Markland, DR Reichman
The Journal of chemical physics 136 (8), 084104, 2012
522012
Oxygen as a site specific probe of the structure of water and oxide materials
A Zeidler, PS Salmon, HE Fischer, JC Neuefeind, JM Simonson, ...
Physical Review Letters 107 (14), 145501, 2011
512011
Quantum fluctuations and isotope effects in ab initio descriptions of water
L Wang, M Ceriotti, TE Markland
The Journal of chemical physics 141 (10), 104502, 2014
502014
Quantum dynamics and spectroscopy of ab initio liquid water: The interplay of nuclear and electronic quantum effects
O Marsalek, TE Markland
The journal of physical chemistry letters 8 (7), 1545-1551, 2017
492017
Reduced density matrix hybrid approach: An efficient and accurate method for adiabatic and non-adiabatic quantum dynamics
TC Berkelbach, DR Reichman, TE Markland
The Journal of chemical physics 136 (3), 034113, 2012
492012
Nuclear quantum effects enter the mainstream
TE Markland, M Ceriotti
Nature Reviews Chemistry 2 (3), 0109, 2018
482018
Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory
O Marsalek, TE Markland
The Journal of chemical physics 144 (5), 054112, 2016
482016
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