Lecture "Molecular dynamics under (holonomic) constraints"

Apr 30, 2019, from 17:00 until 19:45, BCH 2103, EPFL

On April 30, MARVEL and CECAM are hosting the first lecture in the series "Classics in molecular and materials modeling" at EPFL.

The lecture will be held in BCH 2103 from 17:00 to 19:45:

Molecular dynamics under (holonomic) constraints

J.P. Ryckaert and G. Ciccotti

In this "Classics in molecular and materials modeling" series, hosted by CECAM and MARVEL at EPFL, methods that have become fundamental tools in computational physics and chemistry will be presented by their originators at a level appropriate for second year master and graduate students. The lectures will be followed by an interview with the presenters: we’ll ask them to recall for us the period, problems, people and circumstances that accompanied the creation of milestone methods and algorithms that we now routinely use. The event will be recorded.

The second lecture in the series “Car-Parrinello molecular dynamics” by R. Car and M. Parrinello is scheduled for July 25th. 

We hope that you will be able to join us and share with us this unusual and interesting opportunity to learn first hand from pioneers who have contributed significantly to our field and to get to know better the history and anecdotes behind work that is now recorded in books. The program of the afternoon is detailed below. 

17:00 – Welcome and introduction
17:10 – Lecture Part I: Mechanics under constraints, J.P. Ryckaert
18:00 – Short break / questions
18:10 – Lecture Part II: Statistical Mechanics under constraints, G.Ciccotti
19:00 – Short break / questions
19:10 – Interview and recollections
19:45 – End


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