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Calculation of small molecule solvation free energy by molecular dynamics and Monte Carlo simulations.
Presenter
- Yuqing Deng
December 10, 2008
IMA
QM or MM? Development of a next-generation force field for chemical and biomolecular simulations
Presenter
- Jiali Gao
December 9, 2008
IMA
Simulations of solvent effects using combined QM/MM methods
Presenter
- Jiali Gao
December 7, 2008
IMA
Hélène Zapolsky - Atomistic modelling of phase transformation at large time and length scales
Presenter
- Hélène Zapolsky
April 20, 2023
IPAM
Applications of Knot Theory to Characterizing Entanglements for Polymers in Tubes or Nano-channels
Presenter
- Chris Soteros
May 23, 2023
ICERM
Coarse-graining of cholesterol containing lipid bilayers
Presenter
- Mikko Karttunen
November 3, 2008
IMA
Adaptive Resolution Simulations for Soft Matter Towards Open Systems Molecular Dynamics Simulations
Presenter
- Kurt Kremer
November 3, 2017
IPAM
Mutiscale materials modeling: new takes on old problems
Presenter
- Maria Emelianenko
November 14, 2012
IPAM
Accounting for variability and uncertainty in a complex brain metabolic model via a probabilistic framework
Presenter
- Daniela Calvetti
October 20, 2010
IMA
A Sequential Monte Carlo approach to the Multispecies Coalescent
Presenter
- Paul Lewis
September 19, 2024
ICERM