Главная
Study mode:
on
1
Auxiliary-field methods for quantum materials
2
Overview: MC in quantum physics
3
The many-electron problem
4
The challenge of accurate calculations
5
What does AFQMC do?
6
Connection with other QMC
7
Understand and control the sign problem
8
Ligand-dissociation of TM complexes ICTC
9
Electrochemistry of TM complexes
10
Computing observables & correlations
11
Computation of forces and stresses
12
Lattice optimization - AIN
13
Optimization with noisy gradients
14
An algorithm for noisy forces/stresses
15
Summary
Description:
Explore auxiliary-field quantum Monte Carlo (AFQMC) methods for quantum materials in this 49-minute lecture presented by Shiwei Zhang from the Flatiron Institute's Center for Computational Quantum Physics. Gain insights into the connections between AFQMC and other quantum Monte Carlo methods, as well as its relation to neural networks. Discover recent algorithmic advances in ab initio simulations of solids, including correlated sampling, computation of gradients (forces and stresses), and structural optimization. Delve into topics such as the many-electron problem, challenges in accurate calculations, and strategies to understand and control the sign problem. Learn about applications in transition metal complexes, electrochemistry, and lattice optimization using AI. Understand the computation of observables, correlations, and the implementation of algorithms for noisy forces and stresses in quantum materials research.

Auxiliary-Field Methods for Quantum Materials - IPAM at UCLA

Institute for Pure & Applied Mathematics (IPAM)
Add to list
0:00 / 0:00