Thomas Beck

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David L FreemanProfessor of Chemistry, University of Rhode IslandVerified email at uri.edu
David M. RogersStaff Scientist, Oak Ridge National LaboratoryVerified email at usf.edu
Yu ShiResearch Scientist, Purdue UniversityVerified email at purdue.edu
Andrew E. EisenhartUniversity of CincinnatiVerified email at mail.uc.edu
Laura SagleAssistant Professor of Chemistry, University of CincinnatiVerified email at uc.edu
Lawrence PrattTulane UniversityVerified email at tulane.edu
Carrie C DoylePhD student, University of CincinnatiVerified email at mail.uc.edu
Ian BruzasUniversity of CincinnatiVerified email at mail.uc.edu
Henry S. AshbaughProfessor of Chemical and Biomolecular Engineering, Tulane UniversityVerified email at tulane.edu
David LeitnerDepartment of Chemistry, University of Nevada, RenoVerified email at unr.edu
Zhen zhaoPenn State UniversityVerified email at psu.edu
Paolo CarloniForschungszentrum JülichVerified email at fz-juelich.de
Susan RempeSandia National LaboratoriesVerified email at sandia.gov
Ursula RothlisbergerProfessor of Computational Chemistry and BiochemistryVerified email at epfl.ch
Juris MeijaNational Research Council CanadaVerified email at nrc.ca

Thomas Beck

Section Head, Science Engagement, National Center for Computational Sciences, Oak Ridge National

Verified email at ornl.gov - Homepage

computational chemistry biophysics liquids ion solvation


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Solid–liquid phase changes in simulated isoenergetic Ar₁₃ J Jellinek, TL Beck, RS Berry The Journal of chemical physics 84 (5), 2783-2794, 1986	619	1986
Real-space mesh techniques in density-functional theory TL Beck Reviews of Modern Physics 72 (4), 1041, 2000	601	2000
Rare gas clusters: Solids, liquids, slush, and magic numbers TL Beck, J Jellinek, RS Berry The Journal of chemical physics 87 (1), 545-554, 1987	407	1987
Solid-liquid phase behavior in microclusters RS Berry, TL Beck, HL Davis, J Jellinek Adv. Chem. Phys 70 (2), 75-138, 1988	315	1988
The potential distribution theorem and models of molecular solutions TL Beck, ME Paulaitis, LR Pratt Cambridge University Press, 2006	260	2006
The interplay of structure and dynamics in the melting of small clusters TL Beck, RS Berry The Journal of chemical physics 88 (6), 3910-3922, 1988	258	1988
Equilibrium and dynamical Fourier path integral methods JD Doll, DL Freeman, TL Beck Advances in chemical physics 78, 61-127, 1990	237	1990
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	146	2023
The influence of water interfacial potentials on ion hydration in bulk water and near interfaces TL Beck Chemical Physics Letters 561, 1-13, 2013	135	2013
Melting and phase space transitions in small clusters: Spectral characteristics, dimensions, and K entropy TL Beck, DM Leitner, RS Berry The Journal of chemical physics 89 (3), 1681-1694, 1988	124	1988
Quantum Monte Carlo dynamics: The stationary phase Monte Carlo path integral calculation of finite temperature time correlation functions JD Doll, TL Beck, DL Freeman The Journal of chemical physics 89 (9), 5753-5763, 1988	118	1988
Polarization and charge transfer in the hydration of chloride ions Z Zhao, DM Rogers, TL Beck The Journal of chemical physics 132 (1), 2010	112	2010
Microscopic simulation of solute transfer in reversed phase liquid chromatography SJ Klatte, TL Beck The Journal of Physical Chemistry 100 (14), 5931-5934, 1996	96	1996
Finding saddles on multidimensional potential surfaces RS Berry, HL Davis, TL Beck Chemical physics letters 147 (1), 13-17, 1988	85	1988
Quasichemical and structural analysis of polarizable anion hydration DM Rogers, TL Beck The Journal of chemical physics 132 (1), 2010	81	2010
The quantum mechanics of cluster melting TL Beck, JD Doll, DL Freeman Journal of Chemical Physics 90 (10), 5651-5656, 1989	81	1989
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	79	2016
Phase transitions of reversed-phase stationary phases: Cause and effects in the mechanism of retention JF Wheeler, TL Beck, SJ Klatte, LA Cole, JG Dorsey Journal of chromatography A 656 (1-2), 317-333, 1993	77	1993
Molecular dynamics simulations of tethered alkane chromatographic stationary phases SJ Klatte, TL Beck The Journal of Physical Chemistry 99 (43), 16024-16032, 1995	75	1995
Deblurred observation of the molecular structure of an oil− water interface HS Ashbaugh, LR Pratt, ME Paulaitis, J Clohecy, TL Beck Journal of the American Chemical Society 127 (9), 2808-2809, 2005	70	2005

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