Casula M - Search Results

1

Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study.

Beaudet TD, Casula M, Kim J, Sorella S, Martin RM. Beaudet TD, et al. Among authors: casula m. J Chem Phys. 2008 Oct 28;129(16):164711. doi: 10.1063/1.2987716. J Chem Phys. 2008. PMID: 19045302

2

Correlated geminal wave function for molecules: an efficient resonating valence bond approach.

Casula M, Attaccalite C, Sorella S. Casula M, et al. J Chem Phys. 2004 Oct 15;121(15):7110-26. doi: 10.1063/1.1794632. J Chem Phys. 2004. PMID: 15473777

3

Diffusion Monte Carlo method with lattice regularization.

Casula M, Filippi C, Sorella S. Casula M, et al. Phys Rev Lett. 2005 Sep 2;95(10):100201. doi: 10.1103/PhysRevLett.95.100201. Epub 2005 Sep 2. Phys Rev Lett. 2005. PMID: 16196912

4

Weak binding between two aromatic rings: feeling the van der Waals attraction by quantum Monte Carlo methods.

Sorella S, Casula M, Rocca D. Sorella S, et al. Among authors: casula m. J Chem Phys. 2007 Jul 7;127(1):014105. doi: 10.1063/1.2746035. J Chem Phys. 2007. PMID: 17627335

5

Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited.

Casula M, Moroni S, Sorella S, Filippi C. Casula M, et al. J Chem Phys. 2010 Apr 21;132(15):154113. doi: 10.1063/1.3380831. J Chem Phys. 2010. PMID: 20423174

6

Resonating valence bond wave function with molecular orbitals: application to first-row molecules.

Marchi M, Azadi S, Casula M, Sorella S. Marchi M, et al. Among authors: casula m. J Chem Phys. 2009 Oct 21;131(15):154116. doi: 10.1063/1.3249966. J Chem Phys. 2009. PMID: 20568856

7

Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz.

Dupuy N, Bouaouli S, Mauri F, Sorella S, Casula M. Dupuy N, et al. Among authors: casula m. J Chem Phys. 2015 Jun 7;142(21):214109. doi: 10.1063/1.4922048. J Chem Phys. 2015. PMID: 26049481

8

Quantum Monte Carlo Study of the Protonated Water Dimer.

Dagrada M, Casula M, Saitta AM, Sorella S, Mauri F. Dagrada M, et al. Among authors: casula m. J Chem Theory Comput. 2014 May 13;10(5):1980-93. doi: 10.1021/ct401077x. J Chem Theory Comput. 2014. PMID: 26580525

9

Geminal embedding scheme for optimal atomic basis set construction in correlated calculations.

Sorella S, Devaux N, Dagrada M, Mazzola G, Casula M. Sorella S, et al. Among authors: casula m. J Chem Phys. 2015 Dec 28;143(24):244112. doi: 10.1063/1.4938089. J Chem Phys. 2015. PMID: 26723656

10

Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics.

Mouhat F, Sorella S, Vuilleumier R, Saitta AM, Casula M. Mouhat F, et al. Among authors: casula m. J Chem Theory Comput. 2017 Jun 13;13(6):2400-2417. doi: 10.1021/acs.jctc.7b00017. Epub 2017 May 9. J Chem Theory Comput. 2017. PMID: 28441484

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