Density Functional Theory Courses and Certifications

Centre for Quantum Technologies

Demystifying Density Functional Theory: From Fundamentals to Applications

Uncover the fundamental principles and applications of Density Functional Theory (DFT), exploring its role in physics, chemistry, and biology while understanding its operational framework and research potential.

• YouTube
• 41 minutes
• 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)

Generating Reference Data and Controlling Accuracy in DFT and Hybrid DFT Simulations

Explore advanced techniques in DFT simulations, including all-electron approaches, pseudopotential validation, and hybrid DFT acceleration methods for improved accuracy and efficiency in quantum mechanics calculations.

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

Institute for Pure & Applied Mathematics (IPAM)

Large Scale Hybrid DFT Functionals - Fast Algorithms and Finite-Size Effects - IPAM at UCLA

Explore accelerating DFT calculations with hybrid functionals and finite-size effects in Hartree-Fock calculations for periodic systems in this advanced mathematics lecture.

• YouTube
• 51 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)

Recent Results in Density Functional Theory - IPAM at UCLA

Explore recent advancements in Density Functional Theory, including the Lieb-Oxford bound and Local Density Approximation, presented by Mathieu Lewin at IPAM's workshop on Model Reduction in Quantum Mechanics.

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

Institute for Pure & Applied Mathematics (IPAM)

Elements of Electronic Structure Calculations - HF and DFT - IPAM at UCLA

Explore fundamental concepts of electronic structure calculations, including Hartree-Fock and Density Functional Theory, with insights on modern methodologies and applications in quantum mechanics.

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

Institute for Pure & Applied Mathematics (IPAM)

Fast, Accurate and Large-Scale Ab-Initio Calculations for Materials Modeling

Explore advanced computational methods for large-scale density functional theory calculations, their applications in materials modeling, and the performance of the DFT-FE open-source code.

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

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)

Strictly-Correlated Electron Functional and Multimarginal Optimal Transport

Explore convex optimization methods for multi-marginal transport problems in density functional theory, including relaxation techniques and rounding schemes for energy bounds.

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