GAMESS

swMATH3002MaRDI QIDQ15536FDOQ15536

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Official website: http://www.msg.ameslab.gov/gamess/versions.html

Described by source

• The distributed data interface in GAMESS

Cited In (only showing first 100 items - show all)

• MOLCAS
• \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction
• Binary SCF: GAMESS improvements for energy evaluation based on SCF methods
• Coupled cluster algorithms for networks of shared memory parallel processors
• An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory
• Computational science -- ICCS 2003. International conference, Melbourne, Australia and St. Petersburg, Russia, June 2--4, 2003. Proceedings, Part III.
• Computer simulation of periodic nanostructures
• The distributed data SCF
• Multithreaded shared memory parallel implementation of the electronic structure code GAMESS
• Large-scale semidefinite programs in electronic structure calculation
• DMTDHF: a full dimensional time-dependent Hartree-Fock program for diatomic molecules in strong laser fields
• QWalk: A quantum Monte Carlo program for electronic structure
• Statistical contact model for confined molecules
• Constrained optimization criterion for zirconium isotope separation by the method of laser-assisted retardation of condensation
• ALTDSE
• Gmat
• AMBER
• ISOEFF98
• MOPAC
• HPCC
• WebMO
• GAUSSIAN
• NWChem
• MacMolPlt
• GAMESS-UK
• CRYSTAL09
• MathLibre
• OCTOPUS
• MIKA
• CIF2Cell
• PEACH
• ABINIT-MP
• chemCal
• CCLIB
• BioSPI
• Associated Legendre Functions
• FreeON
• QMCPACK
• OpenUH
• CU2CL
• Nanos++
• spammpack
• TASCEL
• Avogadro
• DMTDHF
• XtalOpt
• Enrichment factor for molybdenum isotopes separation by the method of laser-assisted retardation of condensation
• ADF
• Open Babel
• HyperChem
• MOLDEN
• Wolf2Pack
• ChaNGa
• MateriApps LIVE
• AIMAll
• RandSpg
• CRYSTAL
• SLIMP
• libssh
• PWscf
• GPSHMEM
• ORCA
• Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids
• Gmat. A software tool for the computation of the rovibrational \(G\) matrix
• FermiSurfer
• QMcBeaver
• Chemcraft
• Quantum Monte Carlo on graphical processing units
• New applications of integral equations methods for solvation continuum models: Ionic solutions and liquid crystals
• BSA
• DCore
• DSQSS
• EasyBuild
• PHYSBO
• TeNeS
• Faster quantum chemistry simulation on fault-tolerant quantum computers
• Computational tools for the electron localization function topological analysis
• 2DMAT
• Recurrence plot analysis of nonlinear vibrational dynamics in H\(_{3}^{+}\) molecule.
• An atomistic and non-classical continuum field theoretic perspective of elastic interactions between defects (force dipoles) of various symmetries and application to graphene
• ISOEFF98. A program for studies of isotope effects using Hessian modifications
• Automated parameterization of intermolecular pair potentials using global optimization techniques
• Quantum Mobile
• Title not available (Why is that?)
• Modern methods and software systems of molecular modeling and application of behavior algebra
• Topological indices of maximal outerplane graphs with two simplicial vertices
• High-order harmonic generation in diatomic molecules: quantum interference, nodal structures and multiple orbitals
• OpenMolcas
• Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine, and Water Revised
• SALMON
• Iteration scheme for solving the system of coupled integro-differential equations for excited and ionized states of molecular systems
• Quantum chemistry. A concise introduction for students of physics, chemistry, biochemistry and materials science
• First-principles research of interaction between 3d-transition metal ions and a graphene divacancy on the supercomputer base
• Antagonist binding in the rat muscarinic receptor: A study by docking and X-ray crystallogra\-phy
• Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein
• Solvers for \(\mathcal{O}(N)\) electronic structure in the strong scaling limit
• Molecular Modeling of Hydrogen Bonding Fluids: Formic Acid and Ethanol + R227ea
• Application of the method of continued fractions to electron scattering by polyatomic molecules
• Practical electronic ground- and excited-state calculation method for lanthanide complexes based on frozen core potential approximation to \(4f\) electrons
• Title not available (Why is that?)

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