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QMC

Science

Summit Helps Predict Molecular Breakups

Designing materials with certain properties is the first step to making computer chips that can store more information, superconductors that could help to solve the world’s energy problems, and drugs that work more efficiently in the human body. The transition metals in the periodic table of elements are crucial to…
Rachel McDowell
June 24, 2020
Science

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…
Katie Bethea
July 15, 2019
Science

Physicists Quench Their Thirst for Modeling Superfluids

Simply put, physicists study energy, matter, and how the two interact. Through the years researchers have cataloged countless phenomena relating to these complex interactions. As science has advanced, researchers have come upon the next frontier of physics research—understanding materials at the most fundamental level and how changes in temperature or…
Eric Gedenk
September 28, 2016