个人简介

Education 1963-64, Chemistry, University of California, Los Angeles, CA 1964-67, B.S., Chemistry, University of California, Berkeley, CA 1967-68, A.M., Chemistry, Harvard University, Cambridge, MA 1967-73, Ph.D., Chemical Physics, Harvard University, Cambridge, MA iEmployment 1967-69, Teaching Fellow, Harvard University, Cambridge, MA 1972-74, Postdoctoral Fellow, Battelle Institute, Columbus, OH 1974-76, Research Associate/Associate Instructor, University of Utah, Salt Lake City, UT 1976-80, Assistant Professor, University of Rhode Island, Kingston, RI 1980-87, Associate Professor, University of Rhode Island, Kingston, RI 1982-83, Visiting Staff Member, Los Alamos National Laboratory, Los Alamos, NM 1988- , Professor, University of Rhode Island, Kingston, RI Honors and Awards Φ H Σ Φ B K Teaching Fellow Award, Harvard University, 1969 IBM Predoctoral Fellowship, Harvard University 1969-72 Lilly Postdoctoral Teaching Fellowship, University of Rhode Island, 1978-79

研究领域

Theoretical Chemistry

An important approach used to describe the properties and behavior of bulk materials is computational statistical mechanics. These computational methods can provide both a practical approach to investigate complex systems and a fundamental understanding of the thermodynamic properties of condensed matter. Foremost among the computational approaches have been molecular dynamics and Monte Carlo techniques. Our research has included both the development of new Monte Carlo methods for computational statistical mechanics and applications of those methods to systems of current chemical interest. Among the methodological developments are approaches for simulating the properties of systems with rugged energy landscapes and enhanced path integral methods for quantum simulations. Systems under continuing study are clathrate materials important for hydrogen storage and molecular clusters having interesting phase change properties.

近期论文

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N. Plattner, S. Kunikeev, D.L. Freeman and J.D. Doll Numerical investigation of the cumulant expansion for Fourier path integrals Lecture Notes in Computer Science (LNCS) 2012, 7134, 13 J.D. Doll, N. Plattner, D.L. Freeman, Y. Liu and P.Dupuis Rare-event sampling: Occupation-based performance measures for parallel tempering and infinite swapping Monte Carlo methods J. Chem. Phys. 2012, 137, 204112 G.L. Holden and D.L. Freeman Monte Carlo investigations of the thermodynamic properties of (H2O)n and (H2O)nH2 (n=2-20) clusters J. Phys. Chem. B 2011, 115, 4725 S.D. Kunikeev, D.L. Freeman and J.D. Doll Convergence characteristics of the cumulant expansion for Fourier path integrals Phys. Rev. E 2010, 81, 066707 S.W. Rick and D.L. Freeman Proton disorder and the dielectric constant of type II clathrate hydrates J. Chem. Phys. 2010, 132, 054509 E. Asare, A-R. Musah, E. Curotto, D.L. Freeman and J.D. Doll The thermodynamic and ground-state properties of the TIP4P water octamer J. Chem. Phys. 2009, 131, 184508 S. Kunikeev, D.L. Freeman, and J.D. Doll A numerical study of the asymptotic convergence characteristics of partial averaged and reweighted Fourier path integral methods Int. J. Quant. Chem. 2009, 109, 2917 E. Curotto, D.L. Freeman and J.D. Doll A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of water J. Chem. Phys. 2008, 128, 204107 D. Sabo, M. Meuwly, D.L. Freeman and J.D. Doll A constant entropy increase model for the selection of parallel tempering ensembles J. Chem. Phys. 2008, 128, 174109 N. Plattner, T. Bandi, J.D. Doll, D.L. Freeman and Markus Meuwly MD simulations using distributed multipole electrostatics: Structural and spectroscopic properties of CO- and methane-containing clathrates Mol. Phys. 2008, 106, 1675