QMCPACK Courses

Molecular Quantum Monte Carlo Calculations Using Nexus - Session 4.2 of 7

Master molecular Quantum Monte Carlo calculations using QMCPACK, PySCF and Nexus through hands-on tutorials with beryllium and oxygen dimers, plus water molecule examples.

• YouTube
• 50 minutes
• Self-Paced
• Free Video

Demystifying Quantum Monte Carlo Terminology - Session 4.1

Understand key Quantum Monte Carlo terminology including steps, blocks, timesteps and warmup periods to master QMC calculation statistics and input parameters.

• YouTube
• 22 minutes
• Self-Paced
• Free Video

QMC Statistics and NEXUS Workflows - Session 3.3

Explore statistical methods for Quantum Monte Carlo simulations and NEXUS workflow automation in this specialized computational physics session.

• YouTube
• 1 hour 2 minutes
• Self-Paced
• Free Video

Pseudopotentials and Their Place in Quantum Monte Carlo - Session 3.1

Discover pseudopotentials and effective core potentials in Quantum Monte Carlo methods through expert instruction from Lubos Mitas in this specialized computational physics session.

• YouTube
• 40 minutes
• Self-Paced
• Free Video

Correlation Consistent Effective Core Potentials and the Pseudopotential Library - Session 3.2

Explore correlation consistent effective core potentials and pseudopotential libraries in quantum Monte Carlo simulations using QMCPACK software.

• YouTube
• 18 minutes
• Self-Paced
• Free Video

Relaxation of Atomic Structures with STALK - Session 7.2

Master geometry optimization and atomic structure relaxation using STALK package's surrogate methods in this quantum Monte Carlo tutorial by Juha Tiihonen.

• YouTube
• 47 minutes
• Self-Paced
• Free Video

QMC on GPUs from NVIDIA, AMD, and Intel - Session 7.1

Master GPU implementation of Quantum Monte Carlo simulations using QMCPACK across NVIDIA, AMD, and Intel hardware platforms for enhanced computational performance.

• YouTube
• 49 minutes
• Self-Paced
• Free Video

Solid State Calculations - QMC for Materials - Session 5 of 7

Master Quantum Monte Carlo calculations for solid-state materials using QMCPACK, covering finite-size effects, twist averaging, wavefunction generation, and practical applications.

• YouTube
• 59 minutes
• Self-Paced
• Free Video

Real-World Calculations - 2D Materials Using Quantum Monte Carlo - Session 6.3

Master research-level Quantum Monte Carlo workflows for 2D materials and boron nitride using QMCPACK in this advanced computational physics session.

• YouTube
• 46 minutes
• Self-Paced
• Free Video

Real-World Calculations - Bulk and 2D Monolayer GeSe - Session 6.2 of 7

Master research-level Quantum Monte Carlo workflows for GeSe bulk and 2D monolayer calculations using QMCPACK in this advanced computational physics session.

• YouTube
• 39 minutes
• Self-Paced
• Free Video

Real-World Calculations - Molecules - Session 6.1

Master research-grade molecular calculations using Quantum Monte Carlo methods and QMCPACK workflows for publication-level computational chemistry studies.

• YouTube
• 25 minutes
• Self-Paced
• Free Video

Introduction to Quantum Monte Carlo and QMCPACK - Session 1

Discover quantum Monte Carlo methods and QMCPACK software through this introductory session covering electronic structure problems, computational costs, and hands-on setup.

• YouTube
• 49 minutes
• Self-Paced
• Free Video

Introduction to Quantum Monte Carlo - Session 2 of 7

Dive into Quantum Monte Carlo methods, covering VMC and DMC algorithms, wavefunction optimization, and practical implementation for solving electronic structure problems.

• YouTube
• 1 hour 46 minutes
• Self-Paced
• Free Video

Force-Free Identification of Minimum-Energy Pathways and Transition States Using Quantum Monte Carlo Methods

Explore force-free quantum Monte Carlo methods for identifying minimum-energy pathways and transition states in chemical reactions and material transformations.

• YouTube
• 22 minutes
• Self-Paced
• Free Video

VMC Wave Function Optimization for Excited States in Molecules and Solids - 15/18

Explore VMC wave function optimization techniques for excited states in molecules and solids, enhancing quantum simulations and computational chemistry understanding.

• YouTube
• 23 minutes
• Self-Paced
• Free Video