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VERSION:2.0
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SUMMARY:CECAM-MARVEL Classics in molecular and materials modelling: Athana
 ssios Panagiotopoulos and Dominic Tildesley
DTSTART:20211209T150000
DTEND:20211209T174500
DTSTAMP:20260415T073213Z
UID:afcfd9c598751b183eb2d4890f9888afb0febdd41cbf7de6e3af03b8
CATEGORIES:Conferences - Seminars
DESCRIPTION:Athanassios Panagiotopoulos\, Dominic Tildesley\nThe joint lec
 ture by Athanassios Panagiotopoulos (Princeton University) and Dominic Til
 desley (University of Southampton) will be the fifth event in the series 
 "Classics in molecular and materials modelling" hosted by CECAM and MARV
 EL. In this lecture series\, we take a different look at fundamental deve
 lopments of simulation and modelling. Milestone conceptual steps\, methods
  and algorithms are presented by their originators. These technical lectur
 es are followed by an interview in which the speakers recall for us the pe
 riod\, problems\, people and circumstances that accompanied these developm
 ents\, providing important and unusual insight in the birth and growth of 
 tools that we now take for granted.\n\nAthanassios Panagiotopoulos (Prince
 ton University) and Dominic Tildesley (University of Southampton) will pre
 sent to us the intriguing story of molecular-based calculations of phase e
 quilibria of pure components and mixtures. The origins and developments of
  the Gibbs ensemble method will be reviewed\, together with alternative me
 thods and still open challenges. In keeping with the format of the Classic
 s\, our speakers will present two talks that will be followed by an inform
 al interview in which we’ll prompt them to share scientific memories and
 \, if we are lucky\, personal stories on the atmosphere\, developments\, a
 nd events that fostered this important contribution to the set of our curr
 ent tools-of-the-trade. \n\nProgram\n15:00  –  Introduction\n15:10  
 –  Simulation of fluid-phase equilibria (A. Panagiotopoulos)\n16:00  
 –  Break\n16:10  –  Molecular simulation of fluid-phase equilibria:
  multicomponent mixtures and pores (D. Tildesley)\n17:00  –  Interview
  and recollections\n17:45  –  End\n\nFor more information:\nhttps://nc
 cr-marvel.ch/events/classics-panagiotopoulos-tildesley\n 
LOCATION:https://epfl.zoom.us/j/63427717174?pwd=YXpFeVA4STJpRHlEc1g0NE9Dc1
 kzQT09
STATUS:CONFIRMED
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