Electronic Structure Theory Courses and Certifications

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

Physical Chemistry

3 reviews

This course is an introduction to quantum mechanics for use by chemists. Emphasis is on creating and building confidence in the use of intuitive pictures.

• MIT OpenCourseWare
• 31 hours
• On-Demand
• Free Video

Institute for Pure & Applied Mathematics (IPAM)

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

1 review

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

Materials Cloud

Electronic Structure, Density Functional Theory and Planewaves - Part 3

Explore advanced density functional theory concepts and planewave methods for electronic structure calculations in materials science.

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

Materials Cloud

Electronic Structure, Density Functional Theory and Planewaves - Part 2

Dive into advanced density functional theory concepts and planewave methods for electronic structure calculations in materials science.

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

Materials Cloud

Electronic Structure, Density Functional Theory and Planewaves - Part 1

Discover electronic structure fundamentals through density functional theory and planewave methods with expert insights from computational materials science.

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

Institute for Pure & Applied Mathematics (IPAM)

Finite-Size Error and Its Correction in Energy Calculations for Periodic Systems

Explore finite-size errors in periodic systems, focusing on Hartree-Fock and MP2 theories. Learn about convergence rates, Madelung-constant correction, and the staggered mesh method for improved calculations.

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

Institute for Pure & Applied Mathematics (IPAM)

Time-Dependent Hamiltonian Simulation of Highly Oscillatory Dynamics - IPAM at UCLA

Explore highly oscillatory dynamics in quantum systems, focusing on efficient simulation algorithms for time-dependent Hamiltonians with applications in various scientific fields.

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

The Julia Programming Language

DFTK - A Julian Approach for Simulating Electrons in Solids

Introducing DFTK: A Julia package for density-functional theory simulations, offering flexibility for practical calculations and mathematical development in electronic structure research.

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

Institute for Pure & Applied Mathematics (IPAM)

Large-Coupling Strength Expansion in DFT and Hartree-Fock Adiabatic Connections

Explore large-coupling strength expansions in DFT and Hartree-Fock adiabatic connections, examining their applications in quantum chemistry and electronic structure theory.

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

Institute for Pure & Applied Mathematics (IPAM)

Many-Electron Effective Hamiltonians from Similarity Renormalization Group

Explore many-electron effective Hamiltonians using similarity renormalization group, focusing on bond-breaking reactions, spin states, and excited states of molecules with near-degenerate electronic structures.

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

Cambridge Materials

Solvated Electron: First Principles and Machine Learning Approaches

Explore advanced modeling of solvated electrons using machine learning, overcoming challenges in accuracy and efficiency to study structure, dynamics, and properties across temperatures.

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

QMCPACK

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

QMCPACK

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

QCHEM LAB at KNU

Multireference Quantum Chemistry for Exploring Potential Energy Surfaces

Explore potential energy surfaces using advanced multireference quantum chemistry techniques. Gain insights into complex molecular systems and their behavior.

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