Team > David M. Ceperley
David M. Ceperley
University of Illinois at Urbana-Champaign
Phone: (217) 244-0646
Fax: (217) 244-7704
Web pages:

  • B.S., Physics, University of Michigan, 1971
  • Ph.D., Physics, Cornell University, 1976

Academic Positions:
  • Laboratory of Theoretical Physics, Orsay, Postdoctoral Fellow. (1976-1977)
  • Rutgers University, Postdoctoral Fellow. (1977-1978)
  • Lawrence Berkeley National Laboratory, Staff Scientist, National Resource for Computation in Chemistry. (1978-1981)
  • Lawrence Livermore National Laboratory, Staff Scientist. (1981-1987)
  • University of Illinois, Urbana-Champaign, Associate Professor of Physics. (1987-1991)
  • University of Illinois, Urbana-Champaign, Professor of Physics. (1991-present)
  • Founder Professor of Engineering (2006)
  • Center for Advanced Studies Professor (2009)
  • Blue Waters Professor (2014)

Research Interests:
  • Professor Ceperley's work can be broadly classified into technical contributions to quantum Monte Carlo methods and contributions to our physical or formal understanding of quantum many-body systems. His most important contribution is his calculation of the energy of the electron gas, providing basic input for most numerical calculations of electronic structure. He was one of the pioneers in the development and application of path integral Monte Carlo methods for quantum systems at finite temperature, such as superfluid helium and hydrogen under extreme conditions.

  • Electronic Structure of Condensed Matter: The goal of this research is to develop computational methods for condensed matter starting from the fundamental many-body equations. The primary methods used are quantum Monte Carlo simulations, which can find exact properties of many-body systems, and density functional methods, which can be applied to diverse solids and liquids. We are combining these approaches to create new methods and to test the accuracy of calculations on materials. Current research includes studies of electron fluids, metallization of hydrogen at high pressure, simulations of solids and liquids as a function of temperature, and cold atom systems.

  • Prediction of Macroscopic Properties of Liquid Helium from Computer Simulation: This research is concerned with fundamental aspects of helium and quantum fluids in general; we are addressing outstanding problems in the current understanding of relevant phenomena such as Bose condensation, superfluidity, and phase transitions, as well as of theoretical issues such as the inference of bulk properties of matter from the study of finite clusters. The theoretical issues involved in helium systems are of direct relevance to understanding other many-body quantum systems such as correlated electronic systems.

Selected Publications:
  • Miguel A. Morales, Raymond Clay, Carlo Pierleoni, and David M. Ceperley,First Principles Methods: A Perspective from Quantum Monte Carlo, Entropy 2014, 16(1), 287-321
  • J.T. Krogel, M. Yu, J.Kim, and D. M. Ceperley, The Quantum Energy Density: Improved Efficiency for quantum Monte Carlo Calculations. Phys. Rev. B 88, 035137 (2013).
  • E. W. Brown, J. L. DuBois, M. Holzmann, and D. M. Ceperley, Exchange-correlation energy for the 3D homogeneous electron gas at arbitrary temperature, Phys. Rev. B 88, 081102 (2013).
  • Miguel A. Morales, Jeffrey M. McMahon, Carlo Pierleoni, and David M. Ceperley, Towards a predictive first-principles description of solid molecular hydrogen with density functional theory, Phys. Rev. B 87, 184107 ( 2013).
  • E. W. Brown, B. K. Clark, J. L. DuBois, D. M. Ceperley, Path Integral Monte Carlo Simulation of the Warm-Dense Homogeneous Electron Gas, Phys. Rev. Lett. 110, 146405 (2013)
  • M. A. Morales, J. M. McMahon, C. Pierleoni and D. M. Ceperley, Nuclear quantum effects and nonlocal exchange-correlation functionals in liquid hydrogen at high pressure, Phys. Rev. Lett. 110, 065702 (2013).
  • U. Ray and David M. Ceperley, Revealing the condensate and noncondensate distributions in the inhomogeneous Bose-Hubbard model. Phys. Rev. A 87, 051603 (2013).
  • Electronic energy functionals: Levy-Lieb principle within the ground state path integral quantum Monte Carlo" L Delle Site, L.M. Ghiringhelli, David Ceperley. Int. J. Quantum Chem. 113:2, 155-60 (2013) 10.1002/qua24321: 1-6 (2012).
  • Jeffrey M. McMahon, Miguel A. Morales, Carlo Pierleoni, David M.Ceperley, David. The properties of hydrogen and helium under extreme conditions. Reviews of Modern Physics 84:4, 1607-1653 (2012).
  • I. Kylanpaa, T. T. Rantala, David Ceperley. Few-body reference data for multicomponent formalisms: Light-nuclei molecule. Physical Review A (Atomic, Molecular, and Optical Physics), v 86, n 5, p 052506 (2012).
  • Y. Kwon and D. M. Ceperley. 4He adsorption on a single graphene sheet: Path-integral Monte Carlo study. Phys. Rev. B 85, 224501-1-6 (2012).
  • K. P. Esler, J. Kim, D. M. Ceperley, and L. Shulenburger. Accelerating quantum Monte Carlo simulations of real materials on GPU clusters. Comput. Sci. Eng. 14:1, 40-51 (2012).
  • M. A. Morales, E. Schwegler, D. Ceperley, C. Pierleoni, S. Hamel, and K. Caspersen. Phase separation in hydrogen helium mixtures at Mbar pressures. Proc. Nat. Acad. Sci.(USA) 106, 1324-1329 (2009).
  • M. Holzmann, B. Bernu, V. Olevano, R. M. Martin, and D. M. Ceperley. Renormalization factor and effective mass of the two-dimensional electron gas, Phys. Rev. B 79, 041308(R) (2009).
  • K. Delaney, C. Pierleoni, and D. M. Ceperley. Quantum Monte Carlo simulation of the high pressure molecular-atomic transition in fluid hydrogen. Phys. Rev. Lett. 97, 235702-1-4(2006).
  • B. Clark and D. M. Ceperley. Off-diagonal long-range order in solid 4He. Phys. Rev. Lett. 96,105302-1-4 (2006).
  • D. M. Ceperley and B. Bernu. Ring exchanges and the supersolid phase of 4He. Phys. Rev. Lett. 93, 155303-1-4 (2004).
  • D. M. Ceperley. Path integrals in the theory of condensed helium. Rev. Mod. Phys. 67, 279-356 (1995).
  • D. M. Ceperley and B. J. Alder. Ground state of the electron gas by a stochastic method. Phys. Rev. Lett. 45, 566-569 (1980).