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QMCPACK

Science
July 15, 2019

Predicting Material Properties with Quantum Monte Carlo

Written by: Nils Heinonen, Argonne Leadership Computing Facility Recent advances in quantum Monte Carlo (QMC) methods have the potential to revolutionize computational materials science, a discipline traditionally driven by density functional theory (DFT). While DFT—an approach that uses quantum-mechanical modeling to examine the electronic structure of complex systems—provides convenience to…
People
April 16, 2018

Faces of Summit: Programming with Purpose

OLCF postdoctoral research associate Andreas Tillack joined the OLCF’s Center for Accelerated Application Readiness efforts in November 2016, bringing with him extensive experience in programming, physics, and chemistry. The Faces of Summit series shares stories of the people behind America’s top supercomputer for open science, the Oak Ridge Leadership Computing…