[Illinois] PHYS466 2013 Lecture 12: Constraints

By David M. Ceperley

Department of Physics, University of Illinois at Urbana-Champaign, Urbana, IL

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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 12: Constraints," http://nanohub.org/resources/16941.

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Time

Location

University of Illinois at Urbana-Champaign, Urbana, IL

Submitter

NanoBio Node, Obaid Sarvana, George Daley, Mor Gueye

University of Illinois at Urbana-Champaign

Tags

[Illinois] PHYS 466 Lecture 12: Constraints
  • Constraints 1. Constraints 0
    00:00/00:00
  • Constraints in MD 2. Constraints in MD 601.07481720795784
    00:00/00:00
  • Constrained coordinates 3. Constrained coordinates 961.13204659467726
    00:00/00:00
  • SHAKE algorithm 4. SHAKE algorithm 1327.3366210356262
    00:00/00:00
  • Verlet algorithm 5. Verlet algorithm 1709.2852648584305
    00:00/00:00
  • Multiple constraints 6. Multiple constraints 2347.8498427004506
    00:00/00:00
  • Advantages of SHAKE 7. Advantages of SHAKE 2518.4312558455913
    00:00/00:00
  • Ab Initio (Car-Parrinello) MD 8. Ab Initio (Car-Parrinello) MD 2590.0853668905706
    00:00/00:00