Quantum Chemistry

by Synced 2019-11-25 4

AI Helps Quantum Chemists Determine Molecular Wave Functions

An interdisciplinary team of chemists, physicists, and computer scientists have developed a deep learning algorithm that leverages fundamental quantum mechanics equations to accurately predict the quantum mechanical wave functions of molecules.

by Synced 2019-09-18 0

AI Research

Quantum Chemistry Breakthrough: DeepMind Uses Neural Networks to Tackle Schrödinger Equation

DeepMind researchers have brought quantum Monte Carlo (QMC) to a higher level with the Fermionic Neural Network — or Fermi Net — a neural network with more flexibility and higher accuracy.