[Illinois] PHYS466 2013 Lecture 6: Interatomic Potentials

By David M. Ceperley

University of Illinois at Urbana-Champaign

Published on

Abstract


Bio

Professor Ceperley received his BS in physics from the University of Michigan in 1971 and his Ph.D. in physics from Cornell University in 1976. After one year at the University of Paris and a second postdoc at Rutgers University, he worked as a staff scientist at both Lawrence Berkeley and Lawrence Livermore National Laboratories. In 1987, he joined the Department of Physics at Illinois. Professor Ceperley is a staff scientist at the National Center for Supercomputing Applications at Illinois.

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.

Professor Ceperley is a Fellow of the American Physical Society and a member of the American Academy of Arts and Sciences. He was elected to the National Academy of Sciences in 2006.

Cite this work

Researchers should cite this work as follows:

  • David M. Ceperley (2013), "[Illinois] PHYS466 2013 Lecture 6: Interatomic Potentials," https://nanohub.org/resources/16720.

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Location

University of Illinois, Urbana-Champaign, IL

Submitter

NanoBio Node, Obaid Sarvana, George Daley, Mor Gueye

University of Illinois at Urbana-Champaign

Tags

[Illinois] PHYS 466 Lecture 5: Molecular Dynamics II
  • Semi-empirical potentials 1. Semi-empirical potentials 0
    00:00/00:00
  • Periodic Table 2. Periodic Table 316.36599423631128
    00:00/00:00
  • Atom-Atom potentials 3. Atom-Atom potentials 375.63014827018122
    00:00/00:00
  • Atomic systems 4. Atomic systems 475.92215815485991
    00:00/00:00
  • Lennard-Jones (2-body) potential 5. Lennard-Jones (2-body) potenti… 477.7817133443163
    00:00/00:00
  • Phase diagram of Lennard-Jones 6. Phase diagram of Lennard-Jones 1119.8241350906096
    00:00/00:00
  • LJ Force Compution 7. LJ Force Compution 1427.5185337726525
    00:00/00:00
  • Lennard-Jones force calculation 8. Lennard-Jones force calculatio… 1430.8657331136737
    00:00/00:00
  • Morse potential 9. Morse potential 1440.535420098847
    00:00/00:00
  • Morse potential: parameters 10. Morse potential: parameters 1575.0432454695222
    00:00/00:00
  • Various Other Empirical Potentials 11. Various Other Empirical Potent… 1593.0189456342669
    00:00/00:00