GAMESS

swMATH3002MaRDI QIDQ15536FDOQ15536

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Described by source

• The distributed data interface in GAMESS

Cited In (39)

• Title not available (Why is that?)
• Modern methods and software systems of molecular modeling and application of behavior algebra
• Quantum Chemistry (Third Edition)
• \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.
• Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine, and Water Revised
• Computer simulation of periodic nanostructures
• The distributed data SCF
• Iteration scheme for solving the system of coupled integro-differential equations for excited and ionized states of molecular systems
• 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
• First-principles research of interaction between 3d-transition metal ions and a graphene divacancy on the supercomputer base
• QWalk: A quantum Monte Carlo program for electronic structure
• Antagonist binding in the rat muscarinic receptor: A study by docking and X-ray crystallogra\-phy
• Statistical contact model for confined molecules
• Constrained optimization criterion for zirconium isotope separation by the method of laser-assisted retardation of condensation
• Enrichment factor for molybdenum isotopes separation by the method of laser-assisted retardation of condensation
• Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids
• Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein
• Gmat. A software tool for the computation of the rovibrational \(G\) matrix
• Topological indices of maximal outerplane graphswith two simplicial vertices
• Quantum Monte Carlo on graphical processing units
• New applications of integral equations methods for solvation continuum models: Ionic solutions and liquid crystals
• 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
• HIGH-ORDER HARMONIC GENERATION IN DIATOMIC MOLECULES: QUANTUM INTERFERENCE, NODAL STRUCTURES AND MULTIPLE ORBITALS
• Faster quantum chemistry simulation on fault-tolerant quantum computers
• Computational tools for the electron localization function topological analysis
• 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
• Solvers for $\mathcal{O} (N)$ Electronic Structure in the Strong Scaling Limit
• Automated parameterization of intermolecular pair potentials using global optimization techniques
• Title not available (Why is that?)

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