Rapid advances in applying artificial intelligence to simulations in physics and chemistry have some people questioning whether we will even need quantum computers at all.
Quantum chemical calculations are becoming increasingly important in chemistry: they are central to everything from the fundamental understanding of chemical processes, via the interpretation and ...
This year's Association for Computing Machinery's Gordon Bell Prize in supercomputing goes to researchers led by the University of Melbourne who used ...
PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.
Quantum chemistry spans a wide range of phenomena, from the electronic structure of matter and its interactions with light to the flow of charge and energy within molecular systems. It explores the ...
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance ...