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TurboRVB

  • Openness:0 ☆☆☆
  • Document quality:2 ★★☆

Ab initio quantum Monte Carlo solver for both molecular and bulk electronic systems. By using the geminal/Pfaffian wavefunction with the Jastrow correlator as the trial wavefunction, users can perform highly accurate variational calculations, structural optimizations and ab initio molecular dynamics for both classical and quantum nuclei.

Information
Last Update:2021/03/05

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To be available soon
Core Developers Dr. Sandro Sorella, Dr. Claudio Attaccalite, Dr. Matteo Barborini, Dr. Luca Capriotti, Dr. Michele Casula, Dr. Emanuele Coccia, Dr. Mario Dagrada, Dr. Claudio Genovese, Dr. Ye Luo, Dr. Guglielmo Mazzola, Dr. Kosuke Nakano, Dr. Andrea Zen
Parallelization hybrid MPI/OpenMP parallelization
Related keywords
Document K. Nakano, C. Attaccalite, M. Barborini, L. Capriotti, M. Casula, E. Coccia, M. Dagrada, Y. Luo, G. Mazzola, A. Zen, and S. Sorella, J. Chem. Phys. 152, 204121 (2020)
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