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  4. Solid-state physics Nanoscale material simulation calculation program that supports large-scale systems OpenMX (HPC Systems Co., Ltd.)

Solid-state physics Nanoscale material simulation calculation program that supports large-scale systems OpenMX
HPC Systems Co., Ltd.

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■Product overview

OpenMX is a software for performing simulation calculations on a wide range of nanoscale materials based on density functional theory (DFT), norm-conserving pseudopotentials, and pseudoatomic basis sets developed and maintained by the Ozaki research group at the University of Tokyo. It's a program. It is especially carefully designed for parallel computers, and can even perform ab initio electronic structure calculations for systems containing more than 10,000 atoms using parallel computers with thousands of cores. is. It is free software and distributed free of charge under the GNU GPL license.

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    Solid-state physics Nanoscale material simulation calculation program that supports large-scale systems OpenMX

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