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Towards Direct and Accurate ab initio Modeling of Material Defects at Large Scale
Presenter
- Lin Lin
October 4, 2012
IPAM
Multiscale Computational Modeling of Complex Materials Systems
Presenter
- Maria Emelianenko
September 15, 2012
IMA
Stochastic Eulerian-Lagrangian methods for fluid-structure interactions with thermal fluctuations
Presenter
- Paul Atzberger
October 16, 2009
IMA
Generating, sampling, and analyzing the dynamical pathways of folding proteins with rare event techniques
Presenter
- Peter Bolhuis
May 21, 2009
IMA
Diffuse interface model of interface problems with curvature dependent energies
Presenter
- Qiang Du
March 23, 2009
IMA
Weak field control employing the stochastic surrogate Hamiltonian
Presenter
- Ronnie Kosloff
March 3, 2009
IMA
Calculation of small molecule solvation free energy by molecular dynamics and Monte Carlo simulations.
Presenter
- Yuqing Deng
December 10, 2008
IMA
Ab initio molecular dynamics via the Car-Parrinello method: Basic ideas, theory, and algorithms
Presenter
- Mark Tuckerman
December 7, 2008
IMA