Все публикации

Insights into Solid Electrolytes from Long-time and Large-size Scale Simulations with MLIPs

MRS Fall 2023 Tutorial - ML and HT Discovery and Design of Next-Gen Materials for SSBs

NANOx81 Lecture 7 - Trees

NANO181/281 Lecture 5 - Extending Linear Methods

NANO181/281 Lecture 3 - Linear Methods

NANO181/281 Lecture 5 - Linear Classification

ACS Fall 2023 Keynote Talk - Machine Learning; Learning Humans

20230705 - NUS Seminar - Universal Machine Learning Models for Unconstrained Materials Design

243rd ECS Meeting - Machine Learning for Solid State Batteries: Progress vs Hype

NANO266 Lecture 11 - Modeling Transition States

NANO266 Lecture 10 - Surfaces and Interfaces

NANO266 Lecture 9 - Tools of the Modeling Trade

NANO266 Lecture 8 - Properties of Periodic Structures from Quantum Mechanics

NANO266 Lecture 7 - Quantum Mechanical Modeling of Periodic Structures

NANO266 Lecture 6 - Molecule properties from QM Modeling.pdf

NANO266 Lecture 5 - Exchange Correlation Functionals

NANO266 Lecture 3 - Beyond Hartree-Fock

NANO266 Lecture 4 - Introduction to DFT

NANO266 Lecture 2 - The Hartree Fock Approximation

NANO266 Lecture 1 - A Gentle Introduction into QM

MaterialsSquare Webinar - An 'AlphaFold' for Materials Science

NANO181/281 Lecture 8 - Neural networks

NANO181/281 - Lecture 7 - Generalized Additive Models and Trees

Exploring the Matterverse with Graph Deep Learning