Assaraf R - Search Results

1

Infectious parvovirus B19 circulates in the blood coated with active host protease inhibitors.

Lee H, Assaraf R, Subramanian S, Goetschius D, Bieri J, DiNunno NM, Leisi R, Bator CM, Hafenstein SL, Ros C. Lee H, et al. Among authors: assaraf r. Nat Commun. 2024 Nov 5;15(1):9543. doi: 10.1038/s41467-024-53794-1. Nat Commun. 2024. PMID: 39500886 Free PMC article.

2

A Conserved Receptor-Binding Domain in the VP1u of Primate Erythroparvoviruses Determines the Marked Tropism for Erythroid Cells.

Bircher C, Bieri J, Assaraf R, Leisi R, Ros C. Bircher C, et al. Among authors: assaraf r. Viruses. 2022 Feb 17;14(2):420. doi: 10.3390/v14020420. Viruses. 2022. PMID: 35216013 Free PMC article.

3

Systematic lowering of the scaling of Monte Carlo calculations by partitioning and subsampling.

Bienvenu A, Feldt J, Toulouse J, Assaraf R. Bienvenu A, et al. Among authors: assaraf r. Phys Rev E. 2022 Aug;106(2-2):025301. doi: 10.1103/PhysRevE.106.025301. Phys Rev E. 2022. PMID: 36109951

4

Stochastic effective core potentials, improving efficiency using a spin-dependent core definition.

Feldt J, Bienvenu A, Assaraf R. Feldt J, et al. Among authors: assaraf r. Phys Chem Chem Phys. 2022 Jul 13;24(27):16687-16693. doi: 10.1039/d2cp01357f. Phys Chem Chem Phys. 2022. PMID: 35766910

5

Stochastic Effective Core Potentials, toward Efficient Quantum Monte Carlo Simulations of Molecules with Large Atomic Numbers.

Feldt J, Assaraf R. Feldt J, et al. Among authors: assaraf r. J Chem Theory Comput. 2021 Mar 9;17(3):1380-1389. doi: 10.1021/acs.jctc.0c01069. Epub 2021 Feb 11. J Chem Theory Comput. 2021. PMID: 33570955

6

Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs.

Garniron Y, Applencourt T, Gasperich K, Benali A, Ferté A, Paquier J, Pradines B, Assaraf R, Reinhardt P, Toulouse J, Barbaresco P, Renon N, David G, Malrieu JP, Véril M, Caffarel M, Loos PF, Giner E, Scemama A. Garniron Y, et al. Among authors: assaraf r. J Chem Theory Comput. 2019 Jun 11;15(6):3591-3609. doi: 10.1021/acs.jctc.9b00176. Epub 2019 May 29. J Chem Theory Comput. 2019. PMID: 31082265

7

Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach.

Giner E, Pradines B, Ferté A, Assaraf R, Savin A, Toulouse J. Giner E, et al. Among authors: assaraf r. J Chem Phys. 2018 Nov 21;149(19):194301. doi: 10.1063/1.5052714. J Chem Phys. 2018. PMID: 30466264

8

Optimizing the Energy with Quantum Monte Carlo: A Lower Numerical Scaling for Jastrow-Slater Expansions.

Assaraf R, Moroni S, Filippi C. Assaraf R, et al. J Chem Theory Comput. 2017 Nov 14;13(11):5273-5281. doi: 10.1021/acs.jctc.7b00648. Epub 2017 Oct 5. J Chem Theory Comput. 2017. PMID: 28873307

9

Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets.

Coccia E, Assaraf R, Luppi E, Toulouse J. Coccia E, et al. Among authors: assaraf r. J Chem Phys. 2017 Jul 7;147(1):014106. doi: 10.1063/1.4991563. J Chem Phys. 2017. PMID: 28688444

10

Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo.

Filippi C, Assaraf R, Moroni S. Filippi C, et al. Among authors: assaraf r. J Chem Phys. 2016 May 21;144(19):194105. doi: 10.1063/1.4948778. J Chem Phys. 2016. PMID: 27208934

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