QMCPACK Courses

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
• On-Demand
• 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
• On-Demand
• Free Video

Using QMC to Understand Hydrogen Storage in Metal Decorated Graphene - 14/18

Explore quantum Monte Carlo techniques for analyzing hydrogen storage in metal-decorated graphene, enhancing understanding of advanced energy storage solutions.

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

Surrogate Hessian Method for Geometry Optimization - QMCPACK Workshop 2023

Explore the surrogate Hessian method for efficient geometry optimization in quantum systems, presented by Jaron Krogel at the QMCPACK Workshop 2023.

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

Orbital Optimization - QMCPACK Workshop 2023

Explore advanced techniques in quantum mechanics with a focus on orbital optimization methods and their applications in computational physics.

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

Spin Orbit Coupling in QMCPACK

Explore spin orbit coupling implementation in QMCPACK with Cody Melton's workshop presentation, covering advanced quantum mechanics concepts and computational techniques.

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

New Correlation-Consistent Effective Core Potentials

Explore new correlation-consistent effective core potentials for quantum chemistry calculations, enhancing accuracy and efficiency in molecular simulations.

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

Accurate Electronic and Magnetic Properties of 2D Materials Using Quantum Monte Carlo Methods

Explore quantum Monte Carlo methods for precise electronic and magnetic property calculations in 2D materials with Daniel Wines from NIST.

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

CPU and GPU Performance of the Batched Code - QMCPACK Workshop 2023

Explore CPU and GPU performance optimization techniques for batched code in quantum Monte Carlo simulations with QMCPACK.

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

Towards QMCPACK v4

Explore advancements in quantum Monte Carlo simulations with QMCPACK v4, focusing on new features and improvements for computational materials science research.

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

Driving the Batched Code with NEXUS

Learn to drive batched code using NEXUS in QMCPACK, exploring advanced techniques for efficient quantum Monte Carlo simulations.

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

Recent Past and Near Future of QMC in Real Materials

Explore recent developments and future prospects of Quantum Monte Carlo calculations in real materials with Fernando Reboredo.

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

Fostering Accuracy in Modelling Materials and Molecular Complexes with Quantum Monte Carlo

Explore quantum Monte Carlo techniques for accurate modeling of materials and molecular complexes with Andrea Zen's insights from QMCPACK Workshop 2023.

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

QMCPACK Workshop 2023 Introduction

Explore quantum Monte Carlo simulations with QMCPACK: Learn about recent developments, upcoming features, and workshop agenda for advancing computational materials science.

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

Modeling Correlated Two-Dimensional Magnets with QMC

Explore quantum Monte Carlo techniques for modeling correlated 2D magnets, focusing on advanced computational methods and their applications in materials science.

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