Molecular Dynamics Courses and Certifications

Path Integral Methods in Atomistic Modelling

Explore quantum effects in atomic systems using path integral methods. Learn advanced techniques for molecular dynamics, sampling, and rate theory from leading experts.

• edX
• 5 weeks, 6-8 hours a week
• On-Demand
• Free Online Course (Audit)

Institute for Pure & Applied Mathematics (IPAM)

Uncertainty-Aware Machine Learning Models of Many-Body Atomic Interactions

Explore symmetry-aware machine learning models for atomic interactions, focusing on E(3)-equivariant neural potentials and Bayesian force fields for improved accuracy in materials modeling.

• YouTube
• 58 minutes
• On-Demand
• Free Online Course

Institute for Pure & Applied Mathematics (IPAM)

Estimate Transport Coefficients From Short Equilibrium Molecular-Dynamic Simulation

Discover optimal methods for estimating transport coefficients in molecular dynamics simulations, enhancing efficiency and accuracy in quantum mechanics research.

• YouTube
• 48 minutes
• On-Demand
• Free Online Course

Bioinformatics With BB

Molecular Dynamics Simulation with GROMACS - Installation and Beginner Tutorial

Step-by-step guide to install GROMACS and run a beginner-level molecular dynamics simulation of a protein in water, covering both Windows and Linux platforms.

• YouTube
• 24 minutes
• On-Demand
• Free Online Course

Bioinformatics With BB

Molecular Dynamics Simulations with Gromacs - Beginner Tutorial Session 2

Learn MD simulation steps, RMSD/RMSF graph generation in Windows using Gromacs. Covers system preparation, energy minimization, equilibration, and analysis for molecular dynamics simulations.

• YouTube
• 24 minutes
• On-Demand
• Free Online Course

Simons Institute

Generalizable Sampling of Conformational Ensembles with Latent Space Dynamics

Explore innovative techniques for sampling conformational ensembles using latent space dynamics, enhancing our understanding of complex molecular systems and their behavior.

• YouTube
• 1 hour 2 minutes
• On-Demand
• Free Online Course

Small-Molecule Spectroscopy and Dynamics

1 review

The goal of this course is to illustrate the spectroscopy of small molecules in the gas phase

• MIT OpenCourseWare
• 34 hours
• On-Demand
• Free Online Course

Atomistic Computer Modeling of Materials (SMA 5107)

Explore atomistic computer simulations for modeling materials, covering energy models, density functional theory, Monte Carlo sampling, molecular dynamics, and coarse-graining approaches with hands-on labs.

• MIT OpenCourseWare
• On-Demand
• Free Online Course

IIT Kanpur;  NPTEL

Artificial Intelligence and Machine Learning in Materials Engineering

Explore AI and ML applications in materials engineering, from basic concepts to advanced techniques for accelerated material design, property optimization, and autonomous experiments.

• Swayam
• 12 weeks
• On-Demand
• Free Online Course

IISc Bangalore;  NPTEL

One and Two Dimensional NMR Spectroscopy for Chemists

Comprehensive exploration of NMR spectroscopy, covering fundamental concepts, experimental techniques, and advanced applications in chemistry and related fields. Includes practical aspects and real-world examples.

• Swayam
• 12 weeks
• On-Demand
• Free Online Course

MITCBMM

Machine Learning and AI for the Sciences - Towards Understanding

Explore ML and AI applications in sciences, focusing on neuroscience, medicine, and physics. Learn about extracting insights from ML models to enhance understanding in fields like quantum chemistry.

• YouTube
• 59 minutes
• On-Demand
• Free Online Course

Association for Computing Machinery (ACM)

Data Science for Assembly Engineering - Sharon C Glotzer

Explore data science applications in assembly engineering, covering self-assembly, crystallization, and machine learning techniques for structural analysis and visualization.

• YouTube
• 56 minutes
• On-Demand
• Free Online Course

Applied Algebraic Topology Network

The Intrinsic Volumes of a Space Filling Diagram and Their Derivatives

Explore intrinsic volumes in molecular dynamics, focusing on space-filling diagrams and their derivatives. Learn formulas for weighted volumes and curvatures in Alpha shape representations.

• YouTube
• 50 minutes
• On-Demand
• Free Online Course

Hausdorff Center for Mathematics

Entropy Techniques for Nonlinear Partial Differential Equations - A Few Examples

Explore entropy techniques for nonlinear PDEs, focusing on Fokker-Planck equations. Learn applications in polymeric fluids, molecular dynamics, and high-dimensional algorithms.

• YouTube
• 1 hour 5 minutes
• On-Demand
• Free Online Course

Institute for Pure & Applied Mathematics (IPAM)

Molecular Electron Densities via Machine Learning - IPAM at UCLA

Explore machine learning techniques for predicting molecular electron densities and energies, with applications in quantum mechanics and molecular dynamics simulations.

• YouTube
• 38 minutes
• On-Demand
• Free Online Course