Articles with public access mandates - Thomas BeckLearn more
Not available anywhere: 3
Models of ion solvation thermodynamics in ethylene carbonate and propylene carbonate
A Arslanargin, A Powers, TL Beck, SW Rick
The Journal of Physical Chemistry B 120 (8), 1497-1508, 2016
Mandates: US National Science Foundation
Free energies of ion binding in the bacterial CLC-ec1 chloride transporter with implications for the transport mechanism and selectivity
Z Chen, TL Beck
The Journal of Physical Chemistry B 120 (12), 3129-3139, 2016
Mandates: US National Science Foundation
All-Atom Biomolecular Simulation in the Exascale Era
TL Beck, P Carloni, DN Asthagiri
Journal of Chemical Theory and Computation 20 (5), 1777-1782, 2024
Mandates: US Department of Energy, Helmholtz Association
Available somewhere: 27
Toward a quantitative theory of Hofmeister phenomena: From quantum effects to thermodynamics
TP Pollard, TL Beck
Current opinion in colloid & interface science 23, 110-118, 2016
Mandates: US National Science Foundation
Frontier: exploring exascale
S Atchley, C Zimmer, J Lange, D Bernholdt, V Melesse Vergara, T Beck, ...
Proceedings of the International Conference for High Performance Computing …, 2023
Mandates: US Department of Energy, European Commission
The importance of the water molecular quadrupole for estimating interfacial potential shifts acting on ions near the liquid–vapor interface
CC Doyle, Y Shi, TL Beck
The Journal of Physical Chemistry B 123 (15), 3348-3358, 2019
Mandates: US National Science Foundation
Novel liposome-based surface-enhanced raman spectroscopy (SERS) substrate
W Lum, I Bruzas, Z Gorunmez, S Unser, T Beck, L Sagle
The journal of physical chemistry letters 8 (12), 2639-2646, 2017
Mandates: US National Science Foundation
Biphasic, membrane-free Zn/phenothiazine battery: effects of hydrophobicity of redox materials on cyclability
J Chai, A Lashgari, AE Eisenhart, X Wang, TL Beck, JJ Jiang
ACS Materials Letters 3 (4), 337-343, 2021
Mandates: US National Science Foundation
Molecular basis of CLC antiporter inhibition by fluoride
MG Chiariello, V Bolnykh, E Ippoliti, S Meloni, JMH Olsen, T Beck, ...
Journal of the American Chemical Society 142 (16), 7254-7258, 2020
Mandates: US National Science Foundation, German Research Foundation, European …
Structure and polarization near the Li+ ion in ethylene and propylene carbonates
TP Pollard, TL Beck
The Journal of chemical physics 147 (16), 2017
Mandates: US National Science Foundation
Re-examining the tetraphenyl-arsonium/tetraphenyl-borate (TATB) hypothesis for single-ion solvation free energies
TP Pollard, TL Beck
The Journal of chemical physics 148 (22), 2018
Mandates: US National Science Foundation
Deconstructing free energies in the law of matching water affinities
Y Shi, T Beck
The Journal of Physical Chemistry B 121 (9), 2189-2201, 2017
Mandates: US National Science Foundation
Absolute ion hydration free energy scale and the surface potential of water via quantum simulation
Y Shi, TL Beck
Proceedings of the National Academy of Sciences 117 (48), 30151-30158, 2020
Mandates: US National Science Foundation
Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on Ab Initio Simulation Data
Y Shi, CC Doyle, TL Beck
The Journal of Physical Chemistry Letters 12 (42), 10310-10317, 2021
Mandates: US National Science Foundation, US Department of Energy
An information theory approach to nonlinear, nonequilibrium thermodynamics
DM Rogers, TL Beck, SB Rempe
Journal of statistical physics 145, 385-409, 2011
Mandates: US National Institutes of Health
Quantum simulations of hydrogen bonding effects in glycerol carbonate electrolyte solutions
AE Eisenhart, TL Beck
The Journal of Physical Chemistry B 125 (8), 2157-2166, 2021
Mandates: US National Science Foundation
MD Simulation of Water Using a Rigid Body Description Requires a Small Time Step to Ensure Equipartition
DN Asthagiri, TL Beck
Journal of Chemical Theory and Computation 20 (1), 368-374, 2023
Mandates: US Department of Energy
Deep neural network based quantum simulations and quasichemical theory for accurate modeling of molten salt thermodynamics
Y Shi, ST Lam, TL Beck
Chemical Science 13 (28), 8265-8273, 2022
Mandates: US National Science Foundation, US Department of Energy
Bowl-in-bowl complex formation with mixed sized calixarenes: adaptivity towards guest binding
A Dawn, A Eisenhart, M Mirzamani, TL Beck, H Kumari
Chemical communications 54 (52), 7131-7134, 2018
Mandates: US National Science Foundation
Evaluating the cloud for capability class leadership workloads
J Lange, T Papatheodore, T Thomas, C Effler, A Haun, C Cunningham, ...
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak …, 2023
Mandates: US Department of Energy
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