D. Freeman

发表

Broken-symmetry unrestricted hybrid density functional calculations on nickel dimer and nickel hydride.

J. Doll, A. E. Cho, C. Diaconu, 2004, The Journal of chemical physics.

The quantum mechanics of clusters: The low‐temperature equilibrium and dynamical behavior of rare‐gas systems

D. D. Frantz, J. Doll, S. Rick, 1991 .

Quantum Mechanics for Closure of Dynamical Systems

D. Giannakis, J. Slawinska, D. Freeman, 2022, 2208.03390.

The construction of double-ended classical trajectories

J. Doll, A. E. Cho, D. Freeman, 1994, chem-ph/9407001.

Quantum mechanical studies of local water structure near fixed ions in ion exchange membranes

S. M. Barnett, D. Freeman, K. Irwin, 1989 .

Asymptotic convergence of the partial averaging technique

J. Doll, C. Predescu, D. Freeman, 2003, cond-mat/0301525.

Fourier path integral Monte Carlo method for the calculation of the microcanonical density of states

J. Doll, D. Freeman, 1994, chem-ph/9403001.

Computational Study of the Structure and Thermodynamic Properties of Ammonium Chloride Clusters Using a Parallel J-Walking Approach

David L. Freeman, Alexander Matro, D. Freeman, 1996 .

Phase changes in 38-atom Lennard-Jones clusters. II. A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical ensembles

D. L. Freeman, David L. Freeman, J. D. Doll, 2000, physics/0003072.

On the X-ray scattering factors of metallic and molecular hydrogen crystals☆

H. Monkhorst, J. D. Pack, D. Freeman, 1979 .

Monte Carlo Studies of the Orientational Order-Disorder Phase Transition in Solid Ammonium Chloride

Robert Q Topper, D. Freeman, 1994, chem-ph/9403002.

A constant entropy increase model for the selection of parallel tempering ensembles.

J. Doll, M. Meuwly, D. Sabo, 2008, The Journal of chemical physics.

A semi-empirical potential for simulations of transition metal clusters: Minima and isomers of Nin (n=2–13) and their hydrides

J. Doll, E. Curotto, D. Freeman, 1998 .

Algebraic and Diagrammatic Methods in Many-Fermion Theory

David L. Freeman, Frank E. Harris, H. Monkhorst, 1992 .

Computational Techniques and Strategies for Monte Carlo Thermodynamic Calculations, with Applications to Nanoclusters

Robert Q. Topper, David L. Freeman, Denise Bergin, 2003 .

Wavelet formulation of path integral Monte Carlo

J. Doll, A. E. Cho, D. Freeman, 2002 .

Stationary tempering and the complex quadrature problem

J. Doll, D. Sabo, D. Freeman, 2002 .

Self-adaptive quadrature and numerical path integration

D. L. Freeman, J. Doll, D. Sabo, 2000 .

Dynamic Path Integral Methods: A Maximum Entropy Approach Based on the Combined use of Real and Imaginary Time Quantum Monte Carlo Data

J. Doll, D. Freeman, Dongsup Kim, 1998 .

Information theory and the optimization of Monte Carlo simulations

Dongsup Kim, Jimmie D. Doll, David L. Freeman, 1997 .

Monte Carlo methods in chemistry

J. Doll, J. Doll, D.L. Freeman, 1994, IEEE Computational Science and Engineering.

Coupled-cluster summation of the particle-particle ladder diagrams for the two-dimensional electron gas

D. Freeman, 1983 .

Application of the coupled-cluster expansion to the correlation energy of electrons in two-dimensional and quasi-two-dimensional systems

D. Freeman, 1978 .

Phase changes in 38-atom Lennard-Jones clusters. I. A parallel tempering study in the canonical ensemble

D. L. Freeman, David L. Freeman, J. D. Doll, 2000, physics/0003068.

Langevin analysis of the diffusion model for surface chemical reactions

J. Doll, D. Freeman, 1983 .

The influence of diffusion on surface reaction kinetics

J. Doll, D. Freeman, 1983 .

A Study of Low Temperature Heat Capacity Anomalies in Bimetallic Alloy Clusters using J-Walking Monte Carlo Methods

G. López, D. Freeman, 1993 .

Coupled-cluster expansion applied to the electron gas: Inclusion of ring and exchange effects

D. Freeman, 1977 .

A numerical solution to the integral equation for atomic pair energies

N. C. Dutta, D. Freeman, 1978 .

Randomly Exact Methods

J D Doll, D L Freeman, J. Doll, 1986, Science.

On the encapsulation of nickel clusters by molecular nitrogen.

J. Doll, D. Sabo, D. Freeman, 2004, The Journal of chemical physics.

Comment on “A comparison of the efficiency of Fourier- and discrete time-path integral Monte Carlo” [J. Chem. Phys. 109, 2123 (1998)]

J. Doll, D. Freeman, 1999 .

Partial averaging approach to Fourier coefficient path integration

J. Doll, R. Coalson, D. Freeman, 1986 .

The Quantum Mechanics of Clusters

J. D. Doll, J. Doll, D. Freeman, 2007 .

Quantum Monte Carlo study of the thermodynamic properties of argon clusters: The homogeneous nucleation of argon in argon vapor and ‘‘magic number’’ distributions in argon vapor

D. L. Freeman, J. D. Doll, J. Doll, 1985 .

Computational study of the structures and thermodynamic properties of ammonium chloride clusters using a parallel jump-walking approach

D. Freeman, A. Matro, R. Q. Topper, 1996, chem-ph/9602005.

Quantum Mechanics of Hydrogen on Nickel and Palladium Clusters

J. Doll, M. A. Gomez, B. Chen, 1999 .

COMPUTATIONAL STUDIES OF CLUSTERS:Methods and Results

J. D. Doll, J. Doll, D. Freeman, 1996 .

Decisions, decisions: Noise and its effects on integral Monte Carlo algorithms

D. L. Freeman, J. Doll, D. Freeman, 1994, chem-ph/9405002.

Reducing Quasi-Ergodic Behavior in Monte Carlo Simulations by J-Walking: Applications to Atomic Clusters

D. L. Freeman, D. D. Frantz, J. Doll, 1990 .

Locating stationary paths in functional integrals: An optimization method utilizing the stationary phase Monte Carlo sampling function

Thomas L. Beck, Jimmie D. Doll, David L. Freeman, 1989 .

Quantum Monte Carlo dynamics: The stationary phase Monte Carlo path integral calculation of finite temperature time correlation functions

J. D. Doll, J. Doll, T. Beck, 1988 .

The thermodynamic and ground state properties of the TIP4P water octamer.

J. Doll, E. Curotto, D. Freeman, 2009, The Journal of chemical physics.

A Comparison of Energy Estimators Used in Quantum Monte Carlo Calculations

J. Doll, D. Freeman, 1985 .

Heat Capacity Estimators for Random Series Path-Integral Methods by Finite-Difference Schemes

J. Doll, C. Predescu, D. Sabo, 2003, cond-mat/0307769.

The interaction of rare gas atoms with graphite surfaces. II. Adatom-adatom potentials

D. Freeman, 1975 .

Lithium crystal properties from high-quality Hartree-Fock wave functions

H. Monkhorst, J. D. Pack, D. Freeman, 1979 .

Low-Permeability Laboratory Measurements by Nonsteady-State and Conventional Methods

D. C. Bush, D. Freeman, 1983 .

Numerical Investigation of the Cumulant Expansion for Fourier Path Integrals

Jimmie D. Doll, Nuria Plattner, Sharif Kunikeev, 2010, PARA.

A numerical study of the asymptotic convergence characteristics of partial averaged and reweighted Fourier path integral methods

J. Doll, S. Kunikeev, D. Freeman, 2009 .

Equilibrium and dynamical Fourier path integral methods

J. Doll, T. Beck, D. Freeman, 2007 .

A heat capacity estimator for Fourier path integral simulations

J. Doll, J. Neirotti, D. Freeman, 2000 .

Asymptotic Convergence Rates of Fourier Path Integral Methods

J. Doll, M. Eleftheriou, E. Curotto, 1999 .

Extending J walking to quantum systems: Applications to atomic clusters

D. D. Frantz, J. Doll, D. Freeman, 1992 .

Cumulant methods and short time propagators

J. Doll, R. Coalson, D. Freeman, 1989 .

Stationary phase Monte Carlo methods: An exact formulation

Jimmie D. Doll, David L. Freeman, J. Doll, 1988 .

Toward a Monte Carlo theory of quantum dynamics

J. Doll, R. Coalson, D. Freeman, 1987 .

Recent Developments in the Theory of Many-Body Processes: Implications for the Study of Surface Dynamics

Jimmie D. Doll, David L. Freeman, A. F. Voter, 1988 .

Energetics of hydrogen chemisorbed on Cu(110): A first principles calculations study

D. L. Freeman, J. D. Doll, J. Doll, 2000 .

A Monte Carlo method for quantum Boltzmann statistical mechanics using Fourier representations of path integrals

J. Doll, D. Freeman, 1984 .

The interaction of rare gas atoms with graphite surfaces. I. Single adatom energies

D. L. Freeman, D. Freeman, 1975 .

Classical monte carlo dynamics: A simulated annealing approach to the construction of double-ended classical trajectories

J. Doll, T. Beck, D. Freeman, 2009 .

A Monte Carlo method for quantum Boltzmann statistical mechanics

J. Doll, D. Freeman, 1984 .

Fourier path integral methods: A model study of simple fluids

J. Doll, R. Coalson, D. Freeman, 1986 .

Energy estimators for random series path-integral methods

J. Doll, C. Predescu, D. Sabo, 2003, cond-mat/0305629.

Proton disorder and the dielectric constant of type II clathrate hydrates.

S. Rick, D. Freeman, 2010, The Journal of chemical physics.

Rigid quantum Monte Carlo simulations of condensed molecular matter: water clusters in the n=2-->8 range.

J. Doll, E. Curotto, D. Freeman, 2007, The Journal of chemical physics.

Theoretical studies of the structure and dynamics of metal/hydrogen systems: Diffusion and path integral Monte Carlo investigations of nickel and palladium clusters

J. Doll, M. A. Gomez, B. Chen, 1996 .

The quantum mechanics of cluster melting

J. Doll, T. Beck, D. Freeman, 1989 .

Binding energy of large icosahedral and cuboctahedral Lennard-Jones clusters

J. Doll, J. Northby, D. Freeman, 1989 .

Gibbs free‐energy changes for the growth of argon clusters adsorbed on graphite

G. López, D. Freeman, M. Strozak, 1992 .

Monte Carlo studies of hydrogen fluoride clusters: cluster size distributions in hydrogen fluoride vapor

J. Doll, D. Freeman, Chang-wen Zhang, 1989 .

Theoretical studies of the energetics and structures of atomic clusters

J. Doll, J. Northby, D. Freeman, 1989 .

Monte Carlo investigation of the thermodynamic properties of (H2O)n and (H2O)nH2 (n = 2-20) clusters.

D. Freeman, Glen L. Holden, 2011, The journal of physical chemistry. B.

Dynamic Path Integral Methods: A Maximum Entropy Approach Based on the Combined use of Real and Imaginary Time Quantum Monte Carlo Data

J. Doll, D. Freeman, Dongsup Kim, 1998 .

Combining smart darting with parallel tempering using Eckart space: application to Lennard-Jones clusters.

J. Doll, D. Freeman, P. Nigra, 2005, The Journal of chemical physics.

A J-WALKING ALGORITHM FOR MICROCANONICAL SIMULATIONS : APPLICATIONS TO LENNARD-JONES CLUSTERS

Jimmie D. Doll, David L. Freeman, J. Doll, 1998 .

Taming the rugged landscape: Techniques for the production, reordering, and stabilization of selected cluster inherent structures

J. Doll, D. Freeman, Dubravko Sabo, 2003, cond-mat/0302111.

Equilibrium and Dynamical Path Integral Methods

J. Doll, M. Eleftheriou, S. Corcelli, 1999 .

Approach to ergodicity in monte carlo simulations

Doll, J. Doll, Neirotti, 2000, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

Phase changes in selected Lennard-Jones X13-nYn clusters.

J. Doll, C. Predescu, D. Freeman, 2004, The Journal of chemical physics.

Theoretical studies of the effect of hydrogen–hydrogen interactions on the structural and dynamical properties of metal/hydrogen clusters

J. Doll, M. A. Gomez, B. Chen, 1998 .

A Monte Carlo method for quantum Boltzmann statistical mechanics using Fourier representations of path integrals

J. Doll, D. Freeman, 1984 .

A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of water.

J. Doll, E. Curotto, D. Freeman, 2008, The Journal of chemical physics.

Pressure dependent study of the solid-solid phase change in 38-atom Lennard-Jones cluster.

J. Doll, D. Freeman, Dubravko Sabo, 2005, The Journal of chemical physics.