Results 91 to 100 of about 2,373 (181)

Enabling Accurate and Large-Scale Explicitly Correlated CCSD(T) Computations via a Reduced-Cost and Parallel Implementation. [PDF]

J Chem Theory Comput
Ladóczki B, Gyevi-Nagy L, Nagy PR, Kállay M.   +3 more
europepmc   +1 more source

Scalable Distributed Memory Implementation of the Quasi-Adiabatic Propagator Path Integral. [PDF]

J Chem Theory Comput
Ovcharenko R, Xu X, Fingerhut BP.
europepmc   +1 more source

SuAVE-Scatter: A Module for Integrating Simulations and SAXS/SANS Analyses. [PDF]

J Chem Inf Model
Caetano DLZ, do Espirito Santo AA, Lima D, Santos DES, Soares TA.   +4 more
europepmc   +1 more source

EMIBD9: Estimating 9 condensed IBD coefficients, inbreeding and relatedness from marker genotypes. [PDF]

Heredity (Edinb)
Wang J.
europepmc   +1 more source

MBX: A many-body energy and force calculator for data-driven many-body simulations. [PDF]

J Chem Phys, 2023
Riera M, Knight C, Bull-Vulpe EF, Zhu X, Agnew H, Smith DGA, Simmonett AC, Paesani F.   +7 more
europepmc   +1 more source

A parallel texture-based region-growing algorithm implemented in OpenMP. [PDF]

Sci Rep
Couder-Castañeda C, Orozco-Del-Castillo M, Padilla-Perez D, Medina I.   +3 more
europepmc   +1 more source

Multiphoton Absorption Spectra of Channelrhodopsin-2 via Multiscale Simulation Methods. [PDF]

J Chem Theory Comput
Carrasco-Busturia D, Linares M, Norman P, Haugaard Olsen JM.   +3 more
europepmc   +1 more source

SW-actors: accelerating the Smith-Waterman algorithm via actors. [PDF]

Bioinform Adv
Bonab RR, Jamali AA, Klenk K, Moayeri MM, Spiteri RJ.   +4 more
europepmc   +1 more source

Dynamic hybrid parallel computing of the Ray Model for solving underwater acoustic fields in vast sea. [PDF]

Sci Rep
Liao S, Xiao W, Wang Y.
europepmc   +1 more source

Fused ensembles of dynamic-rupture earthquake simulations to accelerate Bayesian inference. [PDF]

GEM
Kurapati V, Schneller D, Seelinger L, Niu Z, Gabriel AA, Bader M.   +5 more
europepmc   +1 more source