Classics in molecular and materials modeling
Methods that have become fundamental tools in computational physics and chemistry are presented by their originators at a level appropriate for second year master and graduate students. The lectures are followed by an interview with the presenters: they are asked to recall the period, problems, people and circumstances that accompanied the creation of milestone methods and algorithms that are now routinely used. The events are recorded and made available on the Learn platform of Materials Cloud, and on the MARVEL space on Lhumos.
- Molecular dynamics under (holonomic) constraints with J.P. Ryckaert and G. Ciccotti, 30 April 2019
- Car-Parrinello Molecular Dynamics with Roberto Car (Princeton University) and Michele Parrinello (ETHZ), 25 July 2019
- Berry phases in condensed matte physics with David Vanderbilt and Raffaele Resta, 21 March 2021
- Free-energy of solids: origins and consequences of the 1983 CECAM workshop with Tony Ladd and Daan Frenkel, 20 May 2021
- Fluid phase equilibria by computer simulations with Athanassios Panagiotopoulos and Dominic Tildesley, 9 December 2021
- Ab initio studies of electronic excitations using many-body perturbation theory with Rex Godby, Lucia Reining and Steven Louie, 18 January 2022
- Simulation methods for spin glasses with applications in optimization with Giorgio Parisi and Marc Mézard, 3 November 2022
- Dynamical mean-field theory with Antoine Georges and Gabriel Kotliar, 8 December 2022
- Time-dependent density functional theory: past, present and future with Eberhard Gross and Angel Rubio, 28 September 2023
- Methods for computational biology and drug discovery with Bill Jorgensen and Shoshana Wodak, 5 June 2024
- Quantum Monte Carlo methods in the continuum with David Ceperley, 27 January 2025