Density Functional Theory Courses and Certifications

APS Physics

Shock Physics on the Sandia Z Pulsed Power Machine

Explore extreme dynamic compression studies using the Sandia Z Machine, focusing on deuterium's molecular-to-atomic transition and insulator-to-metal transition under various pressure and temperature conditions.

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

Institute for Pure & Applied Mathematics (IPAM)

Density Functional Theory - IPAM at UCLA

Comprehensive exploration of density functional theory, covering advanced concepts and applications in materials science, presented by Prof. Vikram Gavini at IPAM's exascale mathematics workshop.

• YouTube
• 1 hour 22 minutes
• On-Demand
• Free Video

Institute for Pure & Applied Mathematics (IPAM)

Density Functional Theory - IPAM at UCLA

Comprehensive introduction to density functional theory, exploring its principles and applications in materials science and computational physics.

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

Institute for Pure & Applied Mathematics (IPAM)

Matrix Product States for Real Materials

Explore recent advances in combining MPS algorithms with DMFT and DFT to study strongly correlated materials, focusing on applications to transition metal and rare earth oxides.

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

Institute for Pure & Applied Mathematics (IPAM)

Electronic Structure Calculations of Chiral Matter - IPAM at UCLA

Explore electronic structure calculations for chiral materials, focusing on quasi-1D nanostructures. Learn about helical Bloch waves, Kohn-Sham DFT, and machine learning techniques for predicting electronic fields.

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

Institute for Pure & Applied Mathematics (IPAM)

Basis-Set Correction Based on Density-Functional Theory - IPAM at UCLA

Rigorous framework for basis-set correction in quantum mechanics using density-functional theory, explored through a one-dimensional model with delta-potential interactions for systematic analysis.

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

Institute for Pure & Applied Mathematics (IPAM)

Beyond Density Functional Approximations by Lessons From Density Functional Theory

Exploring alternatives to density functional approximations in quantum mechanics, focusing on extrapolating model families and generalizing Kato's cusp condition for improved accuracy in electronic systems.

• YouTube
• 58 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)

Symbolic Regression for Discovery of a DFT Functional - IPAM at UCLA

Explore symbolic regression for DFT functional discovery, combining AutoML ideas to improve existing models in computational chemistry and materials science.

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

Institute for Pure & Applied Mathematics (IPAM)

Machine Learning to Improve the Exchange and Correlation Functional in DFT

Explore machine learning approaches to improve exchange and correlation functionals in density functional theory, discussing physically informed methods and their advantages in quantum mechanics.

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

Institute for Pure & Applied Mathematics (IPAM)

Conditional Probability Density Functional Theory - IPAM at UCLA

Explore conditional probability density functional theory for electronic structure calculations, addressing challenges in DFT and offering insights into ground-state correlations and warm dense matter simulations.

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

Institute for Pure & Applied Mathematics (IPAM)

Stochastic Density Functional Theory - IPAM at UCLA

Explore stochastic density functional theory for efficient ground-state calculations in extended materials, including noise reduction techniques and applications in warm dense matter at elevated temperatures.

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

Institute for Pure & Applied Mathematics (IPAM)

Molecular Electron Densities via Machine Learning - IPAM at UCLA

Explore machine learning techniques for predicting molecular electron densities and energies, with applications in quantum mechanics and molecular dynamics simulations.

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

Institute for Pure & Applied Mathematics (IPAM)

Error Bounds for Properties in Planewave Electronic Structure Calculations

Explore error bounds in planewave electronic structure calculations, focusing on ground state density matrix and interatomic forces estimation. Learn efficient approximation methods and see numerical results for materials systems.

• YouTube
• 39 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