GAMESS
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Cited in
(only showing first 100 items - show all)- scientific article; zbMATH DE number 7325145 (Why is no real title available?)
- Modern methods and software systems of molecular modeling and application of behavior algebra
- scientific article; zbMATH DE number 1569048 (Why is no real title available?)
- Topological indices of maximal outerplane graphs with two simplicial vertices
- SALMON
- \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
- High-order harmonic generation in diatomic molecules: quantum interference, nodal structures and multiple orbitals
- Computational science -- ICCS 2003. International conference, Melbourne, Australia and St. Petersburg, Russia, June 2--4, 2003. Proceedings, Part III.
- An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory
- 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
- 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
- ADF
- Open Babel
- HyperChem
- MOLDEN
- Wolf2Pack
- ChaNGa
- MateriApps LIVE
- AIMAll
- RandSpg
- CRYSTAL
- SLIMP
- libssh
- PWscf
- GPSHMEM
- ORCA
- FermiSurfer
- QMcBeaver
- Chemcraft
- QWalk: A quantum Monte Carlo program for electronic structure
- Statistical contact model for confined molecules
- 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
- Quantum chemistry. A concise introduction for students of physics, chemistry, biochemistry and materials science
- 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
- Gmat. A software tool for the computation of the rovibrational \(G\) matrix
- 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
- Quantum Monte Carlo on graphical processing units
- Quantum Mobile
- MOLCAS
- OpenMolcas
- 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
- BSA
- DCore
- DSQSS
- EasyBuild
- PHYSBO
- TeNeS
- Practical electronic ground- and excited-state calculation method for lanthanide complexes based on frozen core potential approximation to \(4f\) electrons
- 2DMAT
- Faster quantum chemistry simulation on fault-tolerant quantum computers
- Recurrence plot analysis of nonlinear vibrational dynamics in H\(_{3}^{+}\) molecule.
- Computational tools for the electron localization function topological analysis
- 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
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