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Updated: Jul 8, 2025

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TurboGenius:用于初始量子蒙特卡洛方法的高通量计算的Python套件

Kousuke Nakano1,2, Oto Kohulák1,3, Abhishek Raghav1,4

  • 1International School for Advanced Studies (SISSA), Via Bonomea 265, 34136 Trieste, Italy.

The Journal of chemical physics
|December 11, 2023
PubMed
概括

TurboGenius是一个开源的Python包,用于控制初始量子蒙特卡罗 (QMC) 工作,从而实现高吞吐量计算. 验证和基准证实了它对各种计算化学任务的可靠性和准确性.

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