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)

Bioinformatics With BB

Molecular Dynamics Simulation with GROMACS - Installation and Beginner Tutorial

1 review

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 Video

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 Video

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 Video

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 Video

Conference GSI

Madelung Transform and Variational Asymptotics in Born-Oppenheimer Molecular Dynamics

Explore variational asymptotics and Madelung transform in Born-Oppenheimer molecular dynamics, enhancing understanding of quantum chemistry principles.

• YouTube
• 35 minutes
• On-Demand
• Free Video

NPTEL-NOC IITM

LAMMPS Exercises - Part 5

Explore advanced LAMMPS exercises to enhance your molecular dynamics simulation skills and deepen your understanding of computational materials science.

• YouTube
• 49 minutes
• On-Demand
• Free Video

NPTEL-NOC IITM

LAMMPS Exercises - Part 1

Explore LAMMPS molecular dynamics software through hands-on exercises, enhancing your understanding of simulation techniques and computational modeling.

• YouTube
• 31 minutes
• On-Demand
• Free Video

NPTEL-NOC IITM

Input Script for LAMMPS - Part 2

Learn to create and customize input scripts for LAMMPS molecular dynamics simulations, enhancing your ability to model complex systems efficiently.

• YouTube
• 46 minutes
• On-Demand
• Free Video

NPTEL-NOC IITM

Basic Introduction to Molecular Dynamics

Explore molecular dynamics fundamentals, LAMMPS usage, visualization techniques, and key concepts like interatomic potentials and periodic boundary conditions.

• YouTube
• 45 minutes
• On-Demand
• Free Video

NPTEL-NOC IITM

Input Script for LAMMPS - Part 1

Learn to create and structure input scripts for LAMMPS molecular dynamics software, focusing on essential commands and parameters for simulation setup.

• YouTube
• 47 minutes
• On-Demand
• Free Video

NPTEL-NOC IITM

Input Script for LAMMPS - Part 3

Learn to create and customize input scripts for LAMMPS molecular dynamics simulations, focusing on advanced techniques and best practices.

• YouTube
• 36 minutes
• On-Demand
• Free Video

nanohubtechtalks

Teaching and Learning with the MIT Atomic Scale Modeling Toolkit - Classical and Quantum Atomic Modeling

Explore classical and quantum atomic modeling using MIT's toolkit. Perform molecular dynamics, Monte Carlo simulations, and quantum chemistry computations. Learn practical applications for various physics and chemistry courses.

• YouTube
• 59 minutes
• On-Demand
• Free Video

ICTP-SAIFR

Nanoconfined Water - Class 2

Explore nanoconfined water's properties and applications in biology and technology through expert insights and cutting-edge research.

• YouTube
• 1 hour 5 minutes
• On-Demand
• Free Video

ICTP-SAIFR

Dynamics and Supercooled Water - Class 3

Explore dynamics and supercooled water, focusing on anomalies and applications in biology and technology. Gain insights from expert Paola Gallo's in-depth lecture.

• YouTube
• 1 hour 42 minutes
• On-Demand
• Free Video