
NAMD
 Referenced in 80 articles
[sw03198]
 platforms and tens of processors on commodity clusters using gigabit ethernet. NAMD uses the popular ... PLOR. NAMD is distributed free of charge with source code. You can build NAMD yourself...

MDMC2
 Referenced in 1 article
[sw17668]
 investigating the fragmentation dynamics of multiply charged clusters. MDMC2 is a parallel code for performing ... molecular dynamics simulations on multiply charged clusters. It is a valuable complement to MCMC2 ... Monte Carlo simulations of multiply charged clusters in the NVTNVT ensemble (Bonhommeau and Gaigeot ... molecular dynamics simulations performed on multiply charged clusters...

MCMC2
 Referenced in 1 article
[sw10776]
 Monte Carlo code for multiplycharged clusters. Summary: We have implemented a Monte Carlo code ... providing structural and thermodynamical properties of multiplycharged LennardJones droplets A N n+ , composed ... positive or negative). The cluster has a total net charge ... potentials and electrostatic terms, including polarisation. The cluster statistical properties can be obtained from...

VORPAL
 Referenced in 20 articles
[sw02597]
 systems, whether on your laptop or supercomputing cluster. With VSim, you can start from ... devices spanning plasma discharges, ion thrusters, satellite charging, RADAR antennas, vacuum electronics, photonic devices...

TRD
 Referenced in 1 article
[sw26754]
 identification using either the cluster counting or the total charge measurement method. In this article...

MF Calculator
 Referenced in 1 article
[sw37273]
 cluster analysis. The MF Calculator is a userfriendly tool available free of charge...

INCA
 Referenced in 1 article
[sw37894]
 selforganizing map, used for gene clustering according to the preferred utilization of codons. Availability ... Win32 platform and is free of charge for academic use. For details, visit...

OPAL
 Referenced in 3 articles
[sw33405]
 structures and beam lines including 3D space charge, short range wakefields ... from the laptop to the largest HPC clusters available today. Simulations, in particular HPC (High...

PSI3
 Referenced in 1 article
[sw36173]
 linear R12 second‐order perturbation theory; coupled cluster frequency‐dependent response properties, including dipole polarizabilities ... package. PSI3 is available free of charge through the open‐source, GNU General Public License...

DelPhiPKa
 Referenced in 2 articles
[sw34312]
 function to calculate electrostatic potentials generated by charges of biomolecules. Topology parameters are extended ... computation is performed on the Palmetto supercomputer cluster and results/download links are given back...

SequenceAnalysis
 Referenced in 0 articles
[sw16313]
 Polar Uncharged, Polar Positively Charged, Polar Negatively Charged, Special cases) are considered which Cysteine, Selenocysteine ... Special cases group. d)Eight categories are clustered via kmeans algorithm on Physicochemical index...

THOR
 Referenced in 1 article
[sw07915]
 Monte Carlo (MC) simulations, coupled to Embedded Cluster Density Functional (ECDF) algorithms. In this scheme ... program to redefine the atomic charge. In case of ionic crystals this kind of procedure...

AMIKS
 Referenced in 2 articles
[sw22460]
 regimes in chemical reactions, motion of a charged particle in an electromagnetic field ... numerical experiments obtained on the NKS30T cluster of the Siberian Supercomputer Center...

BARON
 Referenced in 357 articles
[sw00066]
 BARON is a computational system for solving nonconvex...

BoomerAMG
 Referenced in 196 articles
[sw00086]
 BoomerAMG: A parallel algebraic multigrid solver and preconditioner...

GEANT4
 Referenced in 44 articles
[sw00328]
 Differential elastic hadronnucleus crosssections are discussed...

KNITRO
 Referenced in 197 articles
[sw00490]
 KNITRO is a solver for nonlinear optimization. It...

LAPACK
 Referenced in 1702 articles
[sw00503]
 LAPACK is written in Fortran 90 and provides...

Maple
 Referenced in 5375 articles
[sw00545]
 The result of over 30 years of cutting...

Mathematica
 Referenced in 6360 articles
[sw00554]
 Almost any workflow involves computing results, and that...