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Thomas L Beck

Professor
Chemistry - Tenure-Track Faculty
Physics - Tenure-Track Faculty
1301 Crosley Tower
513-556-4886
thomas.beck@uc.edu
http://www.che.uc.edu/fac_staff/beck.html

Professional Summary

Tom Beck is a Professor of Chemistry at the University of Cincinnati. He is a physical chemist with research interests in theoretical and computational chemistry. After receiving his undergraduate degree in 1982 from the University of Minnesota, he studied at the University of Chicago, receiving his Ph.D. in 1987. His thesis concerned molecular dynamics simulations of phase transitions in atomic clusters. He then worked for two years as a postdoctoral fellow at the Los Alamos National Laboratory in New Mexico, where he helped to develop new Monte Carlo methods in quantum dynamics. In 1989, he joined the faculty of the University of Cincinnati. His research in Cincinnati has included further work on atomic clusters and quantum dynamics, computer simulations of liquid chromatographic interfaces, simulations of phase equiliabria in liquids, development of new numerical methods for quantum chemistry, and recently modeling studies of biological ion channels.

Education

PhD, University of Chicago, 1987.

Research Interests

• Theory and computer simulations of liquids
• Development of multiscale methods for electronic structure
• Electron transport in molecular electronics
• Modeling of biological ion channels

Research Support

Grant- 10 hrs, Ohio Supercomputer Center.

Type G, Petroleum Research Fund. $18,000.

Grant- 100 hours CRAY-YMP time, Ohio Supercomputer Center.

Grant- 500 hours CRAY-YMP time, Ohio Supercomputer Center.

Research Grant, URC. $5,250 .

Boerio, F.J.; Beck, T.L., ONR Polymer-Metal Interphases, $15,000.

Boerio, F.J.; Beck, T.L., UC Research Challenge Grant, University of Cincinnati. $10,000.

Boerio, F.J.; Beck, T.L., Polymers at Interfaces, Ohio Investment Fund. $1.4 Million.

NSF REU grant co PI., NSF/REU.

NSF Condensed Matter Simulations: Tethered Alkane-Solution Interfaces and Quantum Many-Body Systems, (CHE-9225123); $207,000. Funded 1993 to 1996.

PRF-AC Theory of Liquid Chromatography, $50,000. Funded 1993 to 1995.

AFOSR Multigrid Method for Large Scale Electronic Structure Calculations, $25,000. Funded 1995 to 1996.

NSF Multigrid Methods for Simulation of Complex Materials, (CHE-9632309); $185,000. Funded 1996 to 1998.

1500 hours Cray YMP time, Ohio Supercomputer Center. Funded 1996

Cincinnati Connections to VBNS and Internet 2, NSF. $338,000. Funded 1997 to 1999.

Sun Chemical, Modeling of Relative Solubilities of Organic Pigment Compounds, donation to the UC Foundation, $18,150. Funded 2000

Multiscale Quantum Simulations of Electron Transport in Molecular Devices, NSF. (CHE-0112322); $388,928. Funded 2001 to 2004.

Partitioning Process at Chromatographic Interfaces as a Model for Soil Absorption, DOE subcontract with INEEL. $37,520. Funded 02/15/2001 to 09/30/2001.

Flexible Membranes Exploiting Selective Active Transport: Flexible Membranes for Active Transport of HCl, DOD. (DAAD19-02-1-0227); $860,000. Funded 2002 to 2007.

Krantz, B.; Jarvinen, G.; Beck, T.L., Using Electrical Gradients to Promote Convection in Porous Membrane Supports, NSF MAST Membrane Center. $35,000. Funded 2003

Multiscale Modeling of Ion Channel Conformational Transitions in Selective Membranes, DOD/Army. $30,000. Funded 2003

Krantz, B.; Jarvinen, B.; Beck, T.L., Using Electrical Gradients to Promote Convection in Porous Membrane Supports, NSF MAST Membrane Center. $35,000. Funded 2004

Multiscale Modeling of Complex Systems: Conformational Transitions in Proteins , DOD/Army. (W911NF-04-1-0381, Army-W911NF-04-1-0381); $150,000. Funded 2004 to 2006.

Modeling specific-ion effects in aqueous solutions and ion channels, NSF. (CHE-0709560); $409,000. Funded 2007 to 2010.

Peer Reviewed Publications

Farneth, W. E.; Beck, T. L. "Intramolecular Hydrogen Isotope Effects in the Pyrolysis of Diethyl Carbonate–1,1,1,2,2-d5". Intl. J. Chem. Kin. (1983), 15, 461-468.

Jellinek, J.; Beck, T. L.; Berry, R. S. "Solid-Liquid Phase Changes in Simulated Isoenergetic Ar13". J. Chem. Phys. (1986), 84, 2783-2794.

Beck, T.L.; Jellinek, J.; Berry, R. S. "Rare Gas Clusters: Solids, Liquids, Slush, and Magic Numbers". J. Chem. Phys. (1987), 87, 545-554.

Beck, T. L.; Berry, R. S. "The Interplay of Structure and Dynamics in the Melting of Small Clusters". J. Chem. Phys. (1988), 88, 3910-3922.

Berry, R. S.; Davis, H. L.; Beck, T. L. "Finding Saddles on Multi-dimensional Potential Surfaces". Chem. Phys. Lett. (1988), 147, 13-17.

Beck, T. L.; Leitner, D. M.; Berry, R. S. "Melting and Phase Space Transitions in Small Clusters: Spectral Characteristics, Dimensions, and K- entropy". J. Chem. Phys. (1988), 89, 1681-1694.

Doll, J. D.; Beck, T. L.; Freeman, D. L. "Quantum Monte Carlo Dynamics: The Stationary Phase Monte Carlo Path Integral Calculation of Finite Temperature Time Correlation Functions". J. Chem. Phys. (1988), 89, 5753-5763.

Beck, T. L.; Doll, J. D.; Freeman, D. L. "Locating Stationary Paths in Functional Integrals: An Optimization method Utilizing the Stationary Phase Monte Carlo Sampling Function". J. Chem. Phys. (1989), 90, 3181-3191.

Beck, T. L.; Doll, J. D.; Freeman, D. L. "The Quantum Mechanics of Cluster Melting". J. Chem. Phys. (1989), 90, 5651-5656.

Doll, J. D.; Beck, T. L.; Freeman, D. L. "Classical Monte Carlo Dynamics: A Simulated Annealing Approach to the Construction of Double-ended Classical Trajectories, in the Proceedings of the Sanibel Conference on Quantum Chemistry". Int’l. Journal of Quantum Chemistry Symp. (1989), 23, 73-79.

Farneth, W. E.; Thomsen, M. W.; Beck, T. L. "Frequency-Dependent Branching Ratio in the Infrared Multiphoton Photochemistry of Diethyl Carbonates". J. Phys. Org. Chem. (1990), 3, 567-574.

Beck, T. L.; Marchioro, T. L. "Dynamics of Diffusion in Small Cluster Systems". J. Chem. Phys. (1990), 93, 1347-1357.

Beck, T. L.; Marchioro, T. L. "Time Scales for the Observation of Diffusion in Very Small Systems". Phys. Rev. A. (1990), 42, 5019-5021.

Marchioro, T. L.; Beck, T. L. "Monte Carlo Evaluation of Real Time Coherent State Path Integrals". J. Chem. Phys. (1992), 96, 2966-2977.

Beck, T. L. "Quantum Path Integral Extension of Widom's Test Particle Method for Chemical Potentials with Application to Isotope Effects on Hydrogen Solubilities in Model Solids". J. Chem. Phys. (1992), 96, 7175-7177.

Klatte, S. J.; Beck, T. L. "Molecular Dynamics of Tethered Alkanes: Temperature-Dependent Behavior in a High-Density Chromatographic System". J. Phys. Chem. (1993), 97, 5727-5734.

Wheeler, J. F.; Beck, T. L.; Klatte, S. J.; Cole, L. A.; Dorsey, J. G. "Phase Transitions of Reversed Phase Stationary Phases: Cause and Effects in the Mechanism of Retention". J. Chromatog. (1993), A656, 317-333.

Klatte, S. J.; Beck, T. L. "Molecular Dynamics Simulations of Tethered Alkane Chromatographic Stationary Phases". J. Phys. Chem. (1995), 99, 16024-16032.

Iyer, K. A.; Merrick, M.; Beck, T. L. "Application of a Distributed Nucleus Approximation in Grid-Based Minimization of the Kohn-Sham Energy Functional". J. Chem. Phys. (1995), 103, 227-233.

Merrick, M.; Iyer, K.; Beck, T. L. "Multigrid Method for Electrostatic Computations in Numerical Density Functional Theory". J. Phys. Chem. (1995), 99, 12478-12482.

Liu, A.; Beck, T. L. "Determination of Excess Gibbs Free Energy of Quantum Mixtures by MC Path Integral Simulations". Mol. Phys. (1995), 86, 225-233.

Young, J. T.; Boerio, F. J.; Zhang, Z.; Beck, T. L. "Molecular Structure of Monolayers from Thiol-Terminated Polyimide Model Compounds on Gold. I. Raman and Infrared Investigation". Langmuir (1996), 12, 1219-1226.

Zhang, Z.; Beck, T. L.; Young, J. T.; Boerio, F. J. "Molecular Structure of Monolayers from Thiol-Terminated Polyimide Model Compounds on Gold. II: Molecular Dynamics Simulations". Langmuir (1996), 12, 1234.

Klatte, S. J.; Beck, T. L. "Microscopic Simulation of Solute Transfer in Reversed Phase Liquid Chromatography". J. Phys. Chem. (1996), 100, 5931-5934.

Liu, A.; Beck, T. L. "Calculation of Thermodynamic Derivatives from NPT Computer Simulation in Combination with the Kirkwood-Buff Theory". Chem. Phys. Lett. (1996), 258, 271-275.

Liu, A.; Beck, T. L. "Prediction of Liquid-Liquid Phase Equilibrium of He + H2 Mixtures by NPT Molecular Dynamics Simulations". J. Chem. Phys. (1996), 105, 2424-2428.

Liu, A.; Beck, T. L. "Methods of Single and Multi Step Particle Switching in Simulations of Mixtures". J. Phys. Chem. (1996), 100, 16002-16005.

Beck, T. L.; Iyer, K. A.; Merrick, M. P. "Multigrid Methods in Density Functional Theory". Int’l. J. Quant. Chem. (1997), 61, 341-348.

Beck, T. L. "Real Space Multigrid Solution of Electrostatics Problems and the Kohn-Sham Equations". Int’l. J. of Quant. Chem. (1997), 65, 477-486.

Liu, A.; Beck, T. L. "Vapor-Liquid Equilibria of Binary and Ternary Mixtures Containing Methane, Ethane, and Carbon Dioxide from Gibbs-Ensemble Simulations". J. Phys. Chem. B (1998), 102, 7627-7631.

Beck, T. L. "Multigrid High Order Mesh Refinement Techniques for Composite Grid Electrostatics Calculations". J. Comp. Chem. (1999), 20, 1731-1739.

Wang, J.; Beck, T. L. "Efficient Real Space Solution of the Kohn-Sham Equations with Multiscale Techniques". , J. Chem. Phys. (2000), 112, 9223-9228.

Beck, T. L. "Real Space Mesh Techniques in Density Functional Theory". Rev. Mod. Phys. (2000), 72, 1041-1080.

Wijesekera, N.; Feng, G.; Beck, T. L. "Multiscale Algorithms for Eigenvalue Problems". J. of Theor. Comput. Chem. (2003), 2, 553-562.

Tsonchev, S.; Coalson, R. D.; Liu, A.; Beck, T. L. "Flexible Polyelectrolyte Simulations at the Poisson-Boltzmann Level: a Comparison of the Kink-Jump and Multigrid Configurational Bias Monte Carlo Methods". J. Chem. Phys. (2004), 120, 9817-9821.

Yin, J.; Kuang, Z.; Mahankali, U.; Beck, T. L. "Ion Transit Pathways and Gating in ClC Chloride Channels". Proteins: Struct., Funct., and Bioinform. (2004), 57, 414-421.

Meija, J.; Beck, T. L.; Caruso, J. A. "Interpretation of Alkyl Diselenide and Selenosulfenate Mass Spectra". J. Am. Soc. Mass Spectrom. (2004), 15, 1325-1332.

Ashbaugh, H. S.; Pratt, L. R.; Paulaitis, M. E.; Clohecy, J.; Beck, T. L. "Deblurred Observation of the Molecular Structure of a Water-Oil Interface". JACS (Communication) (2005), 127, 2808-2809.

Beck, T. L.; Yin, J.; Kuang, Z.; Mahankali, U.; Feng, G. "Comment on Ion Transit Pathways and Gating in ClC Chloride Channels". Proteins: Struct., Funct., and Bioinform. (2006), 62, 553-554.

Feng, G.; Beck, T. L. "Nonlinear Multigrid Eigenvalue Solver Utilizing Nonorthogonal Localized Orbitals". Physica Status Solidi B (2006), 243, 1054-1062.

Feng, G.; Wijesekera, N.; Beck, T. L. "Real-Space Multigrid Method for Linear-Response Quantum Transport in Molecular Electronic Devices". IEEE Transactions on Nanotechnology (2007), 6, 238-244.

Wijesekera, N.; Feng, G.; Beck, T. L. "Efficient Multiscale Algorithms for Solution of Self-consistent Eigenvalue Problems in Real Space". Phys. Rev. B (2007), 75, 115101.

Kuang, Z.; Mahankali, U.; Beck, T. L. "Proton Pathways and H+/Cl- Stoichiometry in Bacterial Chloride Transporters". Proteins: Structure, Function, and Bioinformatics (2007), 68, 26-33.

Z. Kuang, A. Liu, and T. L. Beck. "TransPath: A Computational Method for Locating Ion Transit Pathways through Membrane Proteins". Proteins: Structure, Function, and Bioinformatics (2008), 71, 1349-1359.

D. M. Rogers and T. L. Beck. "Modeling molecular and ionic absolute solvation free energies with quasi-chemical theory bounds". J. Chem. Phys. (2008), 129, 134505.

T. L. Beck. "Real-Space and Multigrid Methods in Chemistry". Rev. Comput. Chem. (2008).

M. Jayasinghe and T. L. Beck. "Molecular dynamics simulations of the structure and thermodynamics of carrier-assisted uranyl ion extraction". J. Phys. Chem. B (2008).

G. Feng and T. L. Beck. "Accurate and Efficient Methods for Electrostatics Contributions to Solvation Free Energies". J. Chem. Phys. (2008).

D. M. Rogers and T. L. Beck. "Bayesian Approach for Coarse-Grained Potentials". J. Chem. Phys. (2008).

D. M. Rogers, Z. Zhao, and T. L. Beck. "Anion solvation free energies from polarizable models and quasi-chemical theory". J. Chem. Phys. (2008).

Books

Beck, T.L.; Paulaitis, M. E.; Pratt, L. R. The Potential Distribution Theorem and Models of Molecular Solutions; Cambridge University Press: Cambridge, 2006.

Book Chapters

Beck, T. L.; Berry, R. S. "Steepest Descent Quenches and the Melting of Microclusters". In The Physics and Chemistry of Small Clusters; Jena, P.; Rao, B.; Khanna, S., Ed(s); Plenum: New York, (1987), pp 213-218.

Berry, R. S.; Beck, T. L.; Davis, H. L.; Jellinek, J. "Solid-Liquid Phase Behavior in Microclusters". In Advances in Chemical Physics Vol. 70; Prigogine, I.; Rice, S. A., Ed(s); Wiley: New York, (1988), pp 75-138.

Davis, H. L.; Beck, T. L.; Braier, P.; Berry, R. S. "Time Scale Considerations in the Characterization of Gelting and Freezing in Micro-clusters". In The Time Domain in Surface and Structural Dynamics; Long, G. J.; Grandjean, F., Ed(s); Kluwer Academic: New York, (1988), pp 535-549.

Doll, J. D.; Beck, T. L.; Freeman, D. L. "Equilibrium and Dynamical Fourier Path Integral Methods". In Advances in Chemical Physics Vol. 78; Rice, S. A.; Prigogine, I., Ed(s), (1990), pp 61-127.

Freeman, D. L.; Beck, T. L.; Doll, J. D. "Stationary Phase Monte Carlo Evaluation of Direct Time Finite Temperature Dipole Autocorrelation Functions, in the Proceedings of the Los Alamos Conference on Quantum Simulations of Condensed Matter Phenomena". In World Scientific; New York, (1990), pp 58-70.

Beck, T. L.; Walker, J. R.; Marchioro II, T. L. ", From Clusters to Liquids: Diffusion, Stokes-Einstein Behavior, and Solvation in Mixed Molecule-Rare Gas Clusters". In The Physics and Chemistry of Finite Systems: From Clusters to Crystals; Jena, P.; Rao, B.; Khanna, S., Ed(s); Kluwer: Boston, (1992), pp 351-356.

Beck, T. L.; Marchioro II, T. L. "The Quantum Potential Distribution Theorem, in Path Integrals from meV to MeV: Tutzing 1992"; Grabert, H.; Inomata, A.; Schulman, L.S.; Weiss, U., Ed(s); World Scientific: Singapore, (1993), pp 238-243.

Klatte, S. J.; Zhang, Z.; Beck, T. L. "Computer Simulation of Chain Molecule-Inorganic Interphases: Chromatographic Stationary Phases and Rigid Rod Self-Assembled Monolayers". In Polymer/Inorganic Interfaces, 304, (1993), pp 141-146.

Beck, T. L.; Merrick, M. P.; Iyer, K. A. "Multigrid Method for Large Scale Electronic Structure". In Grand Challenges in Computer Simulation; Tentner, A., Ed(s); The Society for Computer Simulation, (1995).

Merrick, M. P.; Iyer, K. A.; Beck, T. L. "Multigrid Electrostatic Computations in Density Functional Theory, in proceedings of Les Houches Workshop". In Quantum Mechanical Simulation Methods for Studying Biological Systems; Bicout, D.; Field, M., Ed(s); Springer: New York, (1996), pp 285-294.

Beck, T. L. "Multiscale Techniques for Electrostatics and Eigenvalue Problems in Real Space". In Simulation and Theory of Electrostatic Interactions in Solution; Hummer, G.; Pratt, L. R., Ed(s); AIP Press: New York, (1999).

Beck, T. L.; Klatte, S. J. "Computer Simulations of Interphases and Solute Transfer in Liquid and Size Exclusion Chromatography". In Unified Chromatography, ACS Symposium Series, 748; Chester, T.; Parcher, J., Ed(s), (2000), pp 67-81.

Beck, T. L. "Multiscale Methods for Self-Consistent Electronic Structure in Real Space". In Multiscale Computational Methods in Chemistry and Physics, NATO Science Series, v. 177; Brandt, A.; Bernholc, J.; Binder, K., Ed(s); Computer and Systems Sciences, (2001).

Beck, T. L. "Quantum Contributions to Free Energy Changes in Fluids". In Free energy calculation: Theory and applications in chemistry and biology; Pohorille, A.; Chipot, C., Ed(s); Springer-Verlag, (2007).

Encyclopedia Articles

Coalson, R.; Beck, T. L. Numerical Methods for Solving Poisson and Poisson-Boltzmann Type Equations. In Encyclopedia of Computational Chemistry; John-Wiley: New York, 1998; Vol. 3, pp 2086, 2100.

Reviews

Beck, T. L. Advances in Chemical Physics, Vol. 70, Part 1. J. Amer. Chem. Soc., 110 1988, 7266, 7267.

Beck, T. L. Path Integrals in Quantum Mechanics, Statistics, Polymer Physics, and Financial Markets, 3rd edition. Materials Research Society Bulletin 2005.

Other Publications

Beck, T. L. Cluster Melting: Structure and Dynamics. Ph.D. Thesis 1987, Department of Chemistry, University of Chicago, 1, 232.

Beck, T. L. comment on Influence of Chain Length and Surface Density on the Conformation and Mobility of n-Alkyl Ligands Chemically Immobilized onto a Silica Surface. Anal. Chem. 1996, 68, 1973.

Feng, G.; Wijesekera, N.; Beck, T. L. Multigrid Simulation Method for Quantum Transport in Molecular Electronic Devices. 6th IEEE Conference on Nanotechnology Proceedings 2006, ISBN 1-4244-0078-3, Library of Congress number 2005937117, IEEE Catalog number 06TH8861C.

Invited Presentations

(01-1998). Computer Simulations of Phase Equilibria in Fluid Mixtures. Department of Physics, University of Cincinnati.

(03-1998). Multigrid Methods in Density Functional Theory. Department of Physics and Institute for Nuclear Theory, University of Washington.

(04-1998). Multigrid Methods in Density Functional Theory. National Institutes of Health, Computational Chemistry Division

(04-1998). Molecular Level Simulations of Chromatographic Partitioning. Proctor and Gamble Miami Valley Research Laboratories

(05-1998). Multigrid Methods in Density Functional Theory. Midwest Theory Conference

(08-1998). Multigrid Configurational Bias Monte Carlo Simulations of Polyelectrolyte Chains at the Nonlinear Poisson-Boltzmann Level. Department of Chemistry, University of Pittsburgh.

(08-1998). Computer Simulations of Interphases and Solute Transfer in Liquid and Size Exclusion Chromatography. Unified Chromatography Symposium, National ACS Meeting, Boston.

(10-1998). Multigrid Methods in Density Functional Theory. Argonne National Laboratories

(11-1998). Computer Simulations of Interphases and Solute Transfer in Liquid and Size Exclusion Chromatography. Department of Chemistry, Miami University.

(02-1999). Multigrid Methods in Density Functional Theory. Duquesne University

(03-1999). Multigrid Methods in Density Functional Theory. Department of Computer Science, University of Kentucky.

(06-1999). Multigrid Methods for Solving Nonlinear Problems in Density Functional Theory. Regional ACS Meeting, Columbus, OH.

(06-1999). Multiscale Techniques for Electrostatics and Eigenvalue Problems in Real Space. Workshop on Electrostatic Interactions in Computer Simulations of Condensed Media

(06-1999). Modeling of Interphases and Solute Transfer in Liquid and Size Exclusion Chromatographies. Idaho National Engineering and Environmental Laboratory, Idaho Falls, ID.

(08-1999). Multigrid Methods for Solving the Kohn-Sham Equations. National ACS Meeting, New Orleans.

(10-1999). Multiscale Methods in Chemistry. Department of Chemistry, University of West Virginia.

(02-2000). Efficient Real-Space Solution of the Kohn-Sham Equations with Multiscale Techniques. Workshop on Scale-Parity Multi-Scale Simulation of Chemo-Mechanical Properties at Sanibel Symposium, St. Augustine, FL.

(04-2000). Efficient Real-Space Solution of Poisson Problems and the Kohn-Sham Equations with Multiscale Techniques. NATO Eilat Workshops on Multiscale Computations, Eilat, Israel.

(12-2000). Multiscale Methods for Electronic Structure. DOE Conference on Computational Materials, Maui Supercomputer Center.

(02-2001). Multiscale Methods in Density Functional Theory. University of Pittsburgh and Carnegie-Mellon Theory Colloquium

(04-2001). National ACS Meeting. San Diego, Efficient Real-Space Solution of the Kohn-Sham Equations with Multiscale Techniques.

(04-2001). Computer Simulations of Solute Transfer in Liquid Chromatography. Howard University

(05-2001). Emerging Methods in Computational Chemistry and Materials, Efficient Multiscale Methods in Density Functional Theory. Army Aberdeen Testing Grounds

(06-2001). Efficient Multiscale Methods in Density Functional Theory. CECAM workshop on Electrostatics for Complex Molecular Systems: Continuum Models and Beyond

(10-2001). Efficient Real-Space Solution of the Kohn-Sham Equations with Multiscale Techniques. Dept. of Physics, University of Illinois.

(02-2002). Computer Simulations of Solute Transfer in Liquid Chromatography. Wabash College

(06-2002). Efficient Real-Space Solution of the Kohn-Sham Equations with Multiscale Techniques. Los Alamos National Laboratory

(03-2003). Multiscale Methods for Electrostatics and Electronic Structure. American Physical Society Meeting

(03-2003). Multiscale Methods for Eigenvalue Problems. American Chemical Society Meeting

(03-2003). Multiscale Methods for Eigenvalue Problems. Workshop on Multiscale Simulation of Polymers, Wright Patterson AFB.

(04-2003). Multiscale Methods for Electrostatics and Electronic Structure. University of Nevada Reno

(05-2003). Multiscale Modeling of Ion Permeation through Biological Channels. Pittsburgh Supercomputer Center

(07-2003). Multiscale Modeling of Ion Permeation through Biological Channels. Telluride Conference on Ion Channels

(11-2003). Ion Transit Pathways and Gating in ClC Chloride Channels. Rush Medical Center

(04-2004). Ion Transit Pathways and Gating in ClC Chloride Channel. Wayne State University Chemistry Department

(04-2004). Ion Transit Pathways and Gating in ClC Chloride Channels. University of Florida Quantum Theory Project

(07-2004). Ion Transit Pathways and Gating in ClC Chloride Channels. Telluride Workshop on Ion Channels

(09-2004). , Ion Transit Pathways and Gating in ClC Chloride Channels. Physics Department, Miami University.

(12-2004). Ion Transit Pathways and Gating in ClC Chloride Channels. Chemistry Department, University of Memphis.

(02-2005). Orlando Multiscale Methods for Electronic Structure and Membrane Channels. SIAM Meeting on Computational Methods

(03-2005). Quantum Contributions to Free Energies in Fluids. Los Alamos National Laboratory

(06-2005). Real-space Multigrid Method for Quantum Transport. CECAM Workshop on Real-space Methods, Lyon, France.

(08-2005). Ion Transit Pathways and Gating in ClC Chloride Channels. Telluride Workshop on Ion Channels

(11-2005). Ion Transit through Chloride Channels. University of Pittsburgh

(07-2006). Ion Transit and the Mechanism of Antiport Behavior in Bacterial Chloride Channel Homologs. Elizabethtown College

(07-2006). Ion Transit and the Mechanism of Antiport Behavior in Bacterial Chloride Channel Homologs. Telluride Science Research Center

(09-2006). Ion Transit and the Mechanism of Antiport Behavior in Bacterial Chloride Channel Homologs. Australian National University

(12-2006). Computational Methods for Ion Transit through Chloride Channels and Transporter Behavior. Department of Mathematics, University of Cincinnati.

(02-2007). Sanibel Symposium on Theoretical/Computational Chemistry.

(03-2007). Symposium honoring Barry Honig. National ACS meeting

(06-2007). DoD Workshop on Modern Methods of Computational Chemistry and High-Performance Computing.

(10-2007). The Emerging Importance of Real-Space Multiscale Methods for Electronic Structure and Electron Transport. NSF workshop on nanoelectronics

T. L. Beck (02-1008). Ion-transit pathways and gating inbacterial H+/Cl– transporters . Dept. of Molecular and Cellular Physiology, University of Cincinnati .

T. L. Beck (06-2008). Methods for Quasichemical Calculations of Absolute Hydration Free Energies . International Workshop on Mathematical and Numerical Methods for Free Energy Calculations in Molecular Systems, Banff, Canada .

T. L. Beck (08-2008). Modeling molecular and ionic absolute solvation free energies with quasi-chemical theory bounds . Workshop Honoring Prof. Jimmie Doll, Santa Fe, NM .

T. L. Beck (10/14/2008). Ion transport through membrane channels. American Society of Mechanical Engineers, Baltimore, MD.

Poster Presentations

(07-1998). Multigrid Configurational Bias Monte Carlo Simulations of Polyelectrolyte Chains at the Nonlinear Poisson-Boltzmann Level. StatPhys 20, Paris.

(07-2008). Methods for Quasichemical Calculations of Absolute Hydration Free Energies . , Amerian Conference on Theoretical Chemistry, Evanston, IL .

Events Organized

European Center for Calculations on Atoms and Molecules- Symposium on Simulation of Quantum Impurities (07-1993), Paris.

Midwest Regional ACS Meeting- Symposium on Theory and Experiment of Fluid Interfaces (1996), .

Midwest Regional ACS Meeting- Symposium on Methods and Applications in Electrostatics and Electronic Structure (2000), .

Oesper Symposium in honor of Dr. Adrian Parsegian of NIH (2005), .

CECAM workshop on Real Space methods in Electronic Structure Calculations (06-2005), .

Sanibel Symposium- organized a session on ion channels. (2007), .

Honors & Awards

Cincinnati Technical Societies Young Scientist of the Year, 1991. .

Hans Jaffe Chemistry Faculty Award for Excellence, Department of Chemistry, University of Cincinnati, 1997. .

Cincinnati ACS Section Chemist of the Year Award, 2004. .

Fellow of the Graduate School, University of Cincinnati, 2007. .

Computational Sciences Graduate Fellowship for David Rogers, prestigious DOE award.

Student Advising

Steven Klatte, , Chair, Completed 1995.

Michael Merrick, , Chair, Completed 1996.

Zhongming Zhange, , Chair, Completed 1996.

Nobunaka Matsuno, , Chair, Completed 2003.

Nimal Wijesekera, , Chair, Completed 2004.

Uma Mahankali, , Chair, Completed 2006.

Manori Jasasinghe, , Chair, Completed 2007.

Roman Petrenko, , Chair, In Progress 2008.

Philip Durham, Master, Chair, Completed 2008.

David Rogers, , Chair, In Progress 2008.

Hyundeok Song, , Chair, In Progress 2008.