Posts tagged with: Quantum Monte Carlo (QMC)

Using Quantum Bits to Crunch Chemistry Equations Now More Error-Free Than Ever

In principle, quantum computers should be able to handle exponentially larger and more complex calculations, like those needed to solve the Schrodinger equation, because the qubits that make them up...

Material-Design Tools Taking On Quantum Monte Carlo Methods, Approximation of the Schrodinger Equation

A multi-institutional effort that includes researchers from Argonne, Lawrence Berkeley, and Oak Ridge National Laboratories is now underway to prepare QMCPACK for deployment on forthcoming, GPU-powered exascale machines, including the ALCF’s...

Quantum Monte Carlo at Exascale: Key to Finding New Semiconductor Materials?

Researchers are urgently trying to identify possible materials to replace silicon-based semiconductors. The processing power in modern computers continues to increase even as the size of the silicon on which...