QMC=Chem: A Quantum Monte Carlo Program for Large-Scale Simulations in Chemistry at the Petascale Level and beyond

Author:

Scemama Anthony,Caffarel Michel,Oseret Emmanuel,Jalby William

Publisher

Springer Berlin Heidelberg

Reference12 articles.

1. Caffarel, M.: Quantum monte carlo methods in chemistry. In: Encyclopedia of Applied and Computational Mathematics. Springer (2011), http://qmcchem.ups-tlse.fr/files/caffarel/qmc.pdf

2. See web site: Quantum Monte Carlo for Chemistry@Toulouse, http://qmcchem.ups-tlse.fr

3. Monari, A., Scemama, A., Caffarel, M.: Large-scale quantum monte carlo electronic structure calculations on the egee grid. In: Davoli, F., Lawenda, M., Meyer, N., Pugliese, R., Wäglarz, J., Zappatore, S. (eds.) Remote Instrumentation for eScience and Related Aspects, pp. 195–207. Springer, New York (2012), http://dx.doi.org/10.1007/978-1-4614-0508-5_13

4. Caffarel, M., Scemama, A.: Large-scale quantum monte carlo simulations for chemistry. Technical Report PA0356, PRACE Preparatory Access Call (April 2011), http://qmcchem.ups-tlse.fr/files/scemama/Curie.pdf

5. Assaraf, R., Caffarel, M., Khelif, A.: Diffusion monte carlo methods with a fixed number of walkers. Phys. Rev. E 61 (2000)

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