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T. Beck · SciRah

Researcher profile · Semantic Scholar

T. Beck

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T. Beck — researcher profile on SciRah

h-index: 33
Works: 124
Citations: 3,532

Most-cited papers

Real-space mesh techniques in density-functional theory
T. Beck
2000373 citations Open access
Semantic Scholar
The Potential Distribution Theorem and Models of Molecular Solutions
T. Beck, M. Paulaitis, L. Pratt
2006166 citations
Semantic Scholar
Equilibrium and dynamical Fourier path integral methods
J. D. Doll, D. L. Freeman, T. Beck
2007157 citations
Semantic Scholar
The influence of water interfacial potentials on ion hydration in bulk water and near interfaces
T. Beck
2013108 citations
Semantic Scholar
Polarization and charge transfer in the hydration of chloride ions.
Zhen Zhao, D. Rogers, T. Beck
2009Journal of Chemical Physics93 citations Open access
Semantic Scholar
Quasichemical and structural analysis of polarizable anion hydration.
D. Rogers, T. Beck
2009Journal of Chemical Physics69 citations Open access
Semantic Scholar
Microscopic Simulation of Solute Transfer in Reversed Phase Liquid Chromatography
Steven J. Klatte, T. Beck
199662 citations
Semantic Scholar
Ion transit pathways and gating in ClC chloride channels
Jian Yin, Zhi-Feng Kuang, Uma Mahankali, T. Beck
2004Proteins: Structure, Function, and Bioinformatics60 citations Open access
Semantic Scholar
Toward a quantitative theory of Hofmeister phenomena: From quantum effects to thermodynamics
T. Pollard, T. Beck
201657 citations Open access
Semantic Scholar
Solid‐Liquid Phase Behavior in Microclusters
R. Berry, T. Beck, H. L. Davis, J. Jellinek
200755 citations
Semantic Scholar
A local entropic signature of specific ion hydration.
T. Beck
2011Journal of Physical Chemistry B51 citations
Semantic Scholar
Proton pathways and H+/Cl− stoichiometry in bacterial chloride transporters
Zhi-Feng Kuang, Uma Mahankali, T. Beck
2007Proteins: Structure, Function, and Bioinformatics46 citations
Semantic Scholar
Free energy partitioning analysis of the driving forces that determine ion density profiles near the water liquid-vapor interface.
Ayse Arslanargin, T. Beck
2012Journal of Chemical Physics42 citations
Semantic Scholar
The thermodynamics of proton hydration and the electrochemical surface potential of water.
T. Pollard, T. Beck
2014Journal of Chemical Physics40 citations
Semantic Scholar
Biphasic, Membrane-Free Zn/Phenothiazine Battery: Effects of Hydrophobicity of Redox Materials on Cyclability
Jing-Chao Chai, A. Lashgari, Andrew E Eisenhart, Xiao Wang +2 more
202139 citations
Semantic Scholar
Length scales and interfacial potentials in ion hydration.
Yu Shi, T. Beck
2013Journal of Chemical Physics36 citations
Semantic Scholar
Efficient real-space solution of the Kohn–Sham equations with multiscale techniques
Jian Wang, T. Beck
199935 citations Open access
Semantic Scholar
Modeling molecular and ionic absolute solvation free energies with quasichemical theory bounds.
D. Rogers, T. Beck
2008Journal of Chemical Physics34 citations Open access
Semantic Scholar
Deblurred observation of the molecular structure of an oil-water interface.
H. Ashbaugh, L. Pratt, M. Paulaitis, Jason Clohecy +1 more
2005Journal of the American Chemical Society34 citations
Semantic Scholar
Hydration Free Energies by Energetic Partitioning of the Potential Distribution Theorem
T. Beck
201133 citations
Semantic Scholar
Molecular dynamics simulations of the structure and thermodynamics of carrier-assisted uranyl ion extraction.
Manori Jayasinghe, T. Beck
2009Journal of Physical Chemistry B33 citations
Semantic Scholar
Models of Ion Solvation Thermodynamics in Ethylene Carbonate and Propylene Carbonate.
Ayse Arslanargin, August Powers, T. Beck, S. Rick
2016Journal of Physical Chemistry B32 citations
Semantic Scholar
The Importance of the Water Molecular Quadrupole for Estimating Interfacial Potential Shifts Acting on Ions Near the Liquid-Vapor Interface.
C. C. Doyle, Yu Shi, T. Beck
2019Journal of Physical Chemistry B30 citations
Semantic Scholar
Novel Liposome-Based Surface-Enhanced Raman Spectroscopy (SERS) Substrate.
W. Lum, Ian Bruzas, Zohre Gorunmez, S. Unser +2 more
2017Journal of Physical Chemistry Letters30 citations Open access
Semantic Scholar
Quasichemical analysis of the cluster-pair approximation for the thermodynamics of proton hydration.
T. Pollard, T. Beck
2014Journal of Chemical Physics29 citations
Semantic Scholar
Molecular Structure of Monolayers from Thiol-Terminated Polyimide Model Compounds on Gold. 1. A Spectroscopic Investigation
J. T. Young, F. J. Boerio, Z. Zhang, T. Beck
199628 citations
Semantic Scholar
Molecular basis of CLC antiporter inhibition by fluoride.
M. Chiariello, Viacheslav Bolnykh, E. Ippoliti, S. Meloni +5 more
2020Journal of the American Chemical Society26 citations Open access
Semantic Scholar
Surface Enhanced Raman Spectroscopy of a Au@Au Core–Shell Structure Containing a Spiky Shell
Debrina Jana, Zohre Gorunmez, Jie He, Ian Bruzas +2 more
201624 citations
Semantic Scholar
Vapor-liquid equilibria of binary and ternary mixtures containing methane, ethane, and carbon dioxide from Gibbs ensemble simulations
Anping Liu, T. Beck
199823 citations
Semantic Scholar
Re-examining the tetraphenyl-arsonium/tetraphenyl-borate (TATB) hypothesis for single-ion solvation free energies.
T. Pollard, T. Beck
2018Journal of Chemical Physics22 citations
Semantic Scholar
Structure and polarization near the Li+ ion in ethylene and propylene carbonates.
T. Pollard, T. Beck
2017Journal of Chemical Physics22 citations
Semantic Scholar
Real‐space multigrid solution of electrostatics problems and the Kohn–Sham equations
T. Beck
199721 citations
Semantic Scholar
Molecular structure of monolayers from thiol-terminated polyimide model compounds on gold. 2. Molecular dynamics simulations
Z. Zhang, T. Beck, J. T. Young, F. J. Boerio
199620 citations
Semantic Scholar
Absolute ion hydration free energy scale and the surface potential of water via quantum simulation
Yu Shi, T. Beck
2020Proceedings of the National Academy of Sciences of the United States of America19 citations Open access
Semantic Scholar
Deconstructing Free Energies in the Law of Matching Water Affinities.
Yu Shi, T. Beck
2017Journal of Physical Chemistry B19 citations
Semantic Scholar
Multigrid methods in density functional theory
T. Beck, K. Iyer, Michael P. Merrick
199717 citations
Semantic Scholar
An Information Theory Approach to Nonlinear, Nonequilibrium Thermodynamics
D. Rogers, T. Beck, S. Rempe
2011Journal of statistical physics15 citations Open access
Semantic Scholar
MULTIGRID METHOD FOR ELECTROSTATIC COMPUTATIONS IN NUMERICAL DENSITY FUNCTIONAL THEORY
Michael P. Merrick, K. Iyer, T. Beck
199515 citations
Semantic Scholar
Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on Ab Initio Simulation Data.
Yu Shi, C. C. Doyle, T. Beck
2021Journal of Physical Chemistry Letters14 citations Open access
Semantic Scholar
Quantum Simulations of Hydrogen Bonding Effects in Glycerol Carbonate Electrolyte Solutions.
Andrew E Eisenhart, T. Beck
2021Journal of Physical Chemistry B13 citations Open access
Semantic Scholar
Multigrid high‐order mesh refinement techniques for composite grid electrostatics calculations
T. Beck
199913 citations
Semantic Scholar
Efficient multiscale algorithms for solution of self-consistent eigenvalue problems in real space
Nimal Wijesekera, G. Feng, T. Beck
200711 citations
Semantic Scholar
Interpretation of alkyl diselenide and selenosulfenate mass spectra
J. Meija, T. Beck, J. Caruso
2004Journal of the American Society for Mass Spectrometry11 citations Open access
Semantic Scholar
Transpath: A computational method for locating ion transit pathways through membrane proteins
Zhi-Feng Kuang, Anping Liu, T. Beck
2007Proteins: Structure, Function, and Bioinformatics10 citations
Semantic Scholar
Nonlinear multigrid eigenvalue solver utilizing nonorthogonal localized orbitals
G. Feng, T. Beck
200610 citations
Semantic Scholar
Determination of excess Gibbs free energy of quantum mixtures by path integral Monte Carlo simulations
Anping Liu, T. Beck
199510 citations
Semantic Scholar
Specific Ion Solvation and Pairing Effects in Glycerol Carbonate.
Andrew E Eisenhart, T. Beck
2021Journal of Physical Chemistry B9 citations Open access
Semantic Scholar
Free Energies of Ion Binding in the Bacterial CLC-ec1 Chloride Transporter with Implications for the Transport Mechanism and Selectivity.
Zhi-Hong Chen, T. Beck
2016Journal of Physical Chemistry B9 citations
Semantic Scholar
Real‐Space and Multigrid Methods in Computational Chemistry
T. Beck
20098 citations
Semantic Scholar
Comment on "Influence of the chain length and surface density on the conformation and mobility of n-alkyl ligands chemically immobilized onto a silica surface".
T. Beck
1996Analytical Chemistry8 citations
Semantic Scholar

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