Видео ютуба по тегу Enhanced Sampling

Enhanced sampling
Enhanced sampling
Enhanced Gaussian Process Surrogates for Optimization and Sampling by Pure Exploration – Hwanwoo Kim
Enhanced Gaussian Process Surrogates for Optimization and Sampling by Pure Exploration – Hwanwoo Kim
Modeling molecular recognition through enhanced sampling methods - Part I
Modeling molecular recognition through enhanced sampling methods - Part I
Transition path sampling and analysis of complex activated (bio)molecular processes
Transition path sampling and analysis of complex activated (bio)molecular processes
Mark Tuckerman - From A to B via a synthesis of rare-event sampling and machine learning
Mark Tuckerman - From A to B via a synthesis of rare-event sampling and machine learning
Molecular Dynamics and Enhanced Sampling
Molecular Dynamics and Enhanced Sampling
Chris Chipot - Enhanced sampling and free energy calculations in NAMD (Part I)
Chris Chipot - Enhanced sampling and free energy calculations in NAMD (Part I)
Probabilistic Sampling for physics: Stochastic models form enhanced sampling in chemistry, Léon Huet
Probabilistic Sampling for physics: Stochastic models form enhanced sampling in chemistry, Léon Huet
Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
Day 2 - Theory: Periodic Boundary Conditions. Introduction to Enhanced-Sampling Approaches.
Day 2 - Theory: Periodic Boundary Conditions. Introduction to Enhanced-Sampling Approaches.
i-CoMSE Advanced Sampling Workshop - March 2023 - Wednesday - Part 2
i-CoMSE Advanced Sampling Workshop - March 2023 - Wednesday - Part 2
Chris Chipot - Enhanced sampling and free energy calculations in NAMD (Part II)
Chris Chipot - Enhanced sampling and free energy calculations in NAMD (Part II)
Jutta Rogal - Machine learning collective variables for sampling of structural transformations
Jutta Rogal - Machine learning collective variables for sampling of structural transformations
Modeling molecular recognition through enhanced-sampling methods - Part 2
Modeling molecular recognition through enhanced-sampling methods - Part 2
Specialized Algorithims for Enhanced Ergodic Sampling - Chris Chipot
Specialized Algorithims for Enhanced Ergodic Sampling - Chris Chipot
Mariano Spivak - Hands-on tutorial session: Free energy and enhanced sampling tutorial (Part I)
Mariano Spivak - Hands-on tutorial session: Free energy and enhanced sampling tutorial (Part I)
Transition Path Sampling and Free Energy Calculations - Chris Chipot
Transition Path Sampling and Free Energy Calculations - Chris Chipot
Enhanced Sampling Methods - chapter 1: Free Energy and Sampling
Enhanced Sampling Methods - chapter 1: Free Energy and Sampling
Archit Vasan - Hands-on tutorial session: Free energy and enhanced sampling tutorial (Part II)
Archit Vasan - Hands-on tutorial session: Free energy and enhanced sampling tutorial (Part II)
Enhanced Sampling Methods - Chapter 4: Metadynamics
Enhanced Sampling Methods - Chapter 4: Metadynamics
Stochastic resetting for enhanced sampling
Stochastic resetting for enhanced sampling
Enhanced gas monitoring: A result of Low Pressure Sampling (AP2E / DURAG)
Enhanced gas monitoring: A result of Low Pressure Sampling (AP2E / DURAG)
Modeling molecular recognition through enhanced sampling methods - Part 2
Modeling molecular recognition through enhanced sampling methods - Part 2
Differentiable Simulations for Enhanced Sampling of Rare Events | Martin Šípka
Differentiable Simulations for Enhanced Sampling of Rare Events | Martin Šípka