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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
Strategic Framework for Designing Trustworthy Deep Learning Surrogate Models
Presenter
- Danial Faghihi
February 25, 2025
IMSI
Susanne Horn - Rotating Convection: Idealised Models of Geophysical & Astrophysical Fluid Dynamics
Presenter
- Susanne Horn
January 27, 2025
IPAM
Train Small, Model Big: Data-Driven Scaleup for Large-Scale Physical Simulations
Presenter
- Youngsoo Choi
January 9, 2025
ICERM
Towards quantitative prediction of kinetic rates and optimal reaction coordinates from the projected dynamics of transition paths
Presenter
- Karen Palacio-Rodriguez
April 22, 2024
IMSI
Implicit, asymptotic-preserving and energy-conserving time integration for particle-in-cell simulation of plasmas with arbitrary magnetization
Presenter
- Lee Ricketson
February 22, 2024
IMSI
Thomas Barthel - Quantum sim of condensed matter using Trotterized entanglement renormalization
Presenter
- Thomas Barthel
February 8, 2024
IPAM
Artificial intelligence with uncertainty quantification can plug gaps in climate science and inform multi sector resilience
Presenter
- Auroop Ganguly
October 31, 2022
IMSI