Computational Chemistry Courses and Certifications

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

Institute for Pure & Applied Mathematics (IPAM)

New Approaches in Simulation of Transition Paths - IPAM at UCLA

Explores tensor methods for simulating chemical transition processes, focusing on compressing high-dimensional PDE functions and introducing a novel tensor-network generative modeling approach without optimization.

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

Institute for Pure & Applied Mathematics (IPAM)

Machine Learning for Atomic-Scale Modeling - Potentials and Beyond - IPAM at UCLA

Explore machine learning techniques for atomic-scale modeling, addressing challenges in chemical diversity and integrating functional properties beyond interatomic potentials for advanced materials simulation.

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

Institute for Pure & Applied Mathematics (IPAM)

Catalysis - Automated Multiscale Modeling and Active Exploration of Chemical Space

Revolutionizing catalysis through automated multiscale modeling and active exploration of chemical space, accelerating material discovery and optimizing processes from first principles to reactor scale.

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

Institute for Pure & Applied Mathematics (IPAM)

From Electrons to the Simulation of Materials - IPAM at UCLA

Explore computational workflows for predicting complex materials properties, from phase diagrams to nanostructures, using density functional theory and machine learning potentials.

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

Institute for Pure & Applied Mathematics (IPAM)

Targeting Excited States with Quantum Monte Carlo - IPAM at UCLA

Explore quantum Monte Carlo methods for excited states, focusing on Jastrow-Slater wave functions and selected-configuration-interaction schemes to compute molecular structures and excitation energies.

• YouTube
• 27 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)

Message Passing Neural Networks for Atomistic Systems - Molecules

Explore message passing neural networks for molecular systems, focusing on their application in quantum mechanics and multiscale approaches to atomistic modeling.

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

Institute for Pure & Applied Mathematics (IPAM)

Fast Algorithm for the Strong-Interaction Limit of Density Functional Theory

Explore a novel algorithm for computing the strong-interaction limit in density functional theory, enhancing accuracy in modeling strongly correlated systems and overcoming computational challenges.

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

Institute for Pure & Applied Mathematics (IPAM)

Advancing Molecular Simulation with Deep Learning - IPAM at UCLA

Explore cutting-edge applications of deep learning in molecular simulation, covering quantum chemistry, force fields, and Markov State Models for advanced scientific research.

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

The Royal Institution

How Materials Science Can Help Create a Greener Future - with Saiful Islam

Explore how materials science advances can drive green technology innovation, from better batteries to efficient solar power, through atomic-scale modeling and structural chemistry insights.

• YouTube
• 1 hour 2 minutes
• On-Demand
• Free Video

Alan Turing Institute

Breaking the Curse of Dimension in Quantum Mechanical Computations Through Analysis and Probability

Explore quantum mechanical computations, focusing on breaking dimensional constraints through analysis and probability. Learn about density functional theory and recent approaches to tackle existing issues.

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

The Julia Programming Language

A Mathematical Look at Electronic Structure Theory - JuliaCon 2021 Workshop

Explore density-functional theory and numerical techniques for solving it using Julia. Learn about discretization, solution algorithms, and practical implementation with hands-on coding exercises.

• YouTube
• 3 hours 1 minute
• On-Demand
• Free Video

Institute for Pure & Applied Mathematics (IPAM)

Electronic Structure Theory via Classical and Quantum Computation - IPAM at UCLA

Explore electronic structure theory through classical and quantum computation, focusing on innovative techniques for modeling molecular systems and their potential applications.

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

The Julia Programming Language

Materials Modeling - Bonding Across Atoms, Code, and People - JuliaCon 2024 Keynote

Exploring computational materials modeling for 21st-century challenges, integrating Julia with existing tools to advance physics, chemistry, and data-driven approaches in materials design.

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