Institute for Pure & Applied Mathematics (IPAM) Courses

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

Uncertainty Quantification of Quantum Chemical Methods - IPAM at UCLA

Explore uncertainty quantification in quantum chemistry, covering error estimation, benchmarking, and machine learning approaches for improved accuracy in computational methods.

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

Contracted Quantum Eigensolver for the Quantum Simulation of Many-Electron Systems

Explore a novel quantum algorithm for many-body systems, comparing it to existing methods and demonstrating its advantages in molecular simulations and quantum computing applications.

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

Math-Chimie: Developing Approaches for Predicting New Superconductors

Explore innovative approaches for predicting superconductors, combining mathematics and chemistry to analyze electron density, localization, and high-pressure materials for groundbreaking discoveries in quantum mechanics.

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

Convergence of the Planewave Approximations for Quantum Incommensurate Systems

Explore quantum incommensurate systems through rigorous analysis of Schrödinger operators' spectrum distribution, focusing on density of states characterization and planewave approximation methods with novel energy cutoffs.

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

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

Fast Algorithms for FCI Excited States - IPAM at UCLA

Fast algorithms for electronic structure excited-state calculations in configuration interaction framework, focusing on global convergence, linear convergence rates, and acceleration techniques for improved efficiency.

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

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

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

Low Rank Approximation in Electron Excitation Calculations - IPAM at UCLA

Explore low rank approximation techniques for efficient electron excitation calculations, focusing on the Interpolative Separable Density Fitting method and its applications in quantum mechanics.

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

Computational Microscopy at IPAM in Fall 2022

Explore cutting-edge computational microscopy techniques in this comprehensive program, featuring workshops on cryoelectron microscopy, deep learning, and electron microscopy advancements.

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

Machine Learning for Quantum Simulation - IPAM at UCLA

Explore machine learning applications in quantum simulation, focusing on neural networks for phase recognition and insights into complex quantum systems.

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

Localization Methods - Perspectives on Initialization and Optimization - IPAM at UCLA

Explore Wannier localization in quantum mechanics, its mathematical formulation, challenges, and new approaches for efficient orbital localization in condensed matter systems.

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

Quantum Dynamics from Classical Trajectories - IPAM at UCLA

Explore semiclassical approximations in quantum mechanics, focusing on a novel approach for complex chemical systems and addressing challenges in path space sampling and prefactor evaluation.

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

Methods and Software for Electron-Phonon Physics - IPAM at UCLA

Explore electron-phonon physics with advanced methods and software. Learn about spectral density functions, Green's functions, and polarons in materials, with real-world examples and computational challenges.

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