The following pages link to GAMESS (Q15536):
Displaying 39 items.
- DMTDHF: a full dimensional time-dependent Hartree-Fock program for diatomic molecules in strong laser fields (Q312813) (← links)
- Statistical contact model for confined molecules (Q321356) (← links)
- Automated parameterization of intermolecular pair potentials using global optimization techniques (Q525739) (← links)
- Gmat. A software tool for the computation of the rovibrational \(G\) matrix (Q603271) (← links)
- Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids (Q630463) (← links)
- Binary SCF: GAMESS improvements for energy evaluation based on SCF methods (Q709917) (← links)
- Coupled cluster algorithms for networks of shared memory parallel processors (Q710043) (← links)
- Quantum Monte Carlo on graphical processing units (Q710187) (← links)
- Large-scale semidefinite programs in electronic structure calculation (Q868461) (← links)
- QWalk: A quantum Monte Carlo program for electronic structure (Q1017601) (← links)
- New applications of integral equations methods for solvation continuum models: Ionic solutions and liquid crystals (Q1265803) (← links)
- The distributed data SCF (Q1348032) (← links)
- Recurrence plot analysis of nonlinear vibrational dynamics in H\(_{3}^{+}\) molecule. (Q1416260) (← links)
- Multithreaded shared memory parallel implementation of the electronic structure code GAMESS (Q1578123) (← links)
- \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction (Q1738917) (← links)
- Computational science -- ICCS 2003. International conference, Melbourne, Australia and St. Petersburg, Russia, June 2--4, 2003. Proceedings, Part III. (Q1886232) (← links)
- ISOEFF98. A program for studies of isotope effects using Hessian modifications (Q1977942) (← links)
- Constrained optimization criterion for zirconium isotope separation by the method of laser-assisted retardation of condensation (Q2041550) (← links)
- Modern methods and software systems of molecular modeling and application of behavior algebra (Q2103753) (← links)
- Enrichment factor for molybdenum isotopes separation by the method of laser-assisted retardation of condensation (Q2242589) (← links)
- An atomistic and non-classical continuum field theoretic perspective of elastic interactions between defects (force dipoles) of various symmetries and application to graphene (Q2456957) (← links)
- Antagonist binding in the rat muscarinic receptor: A study by docking and X-ray crystallogra\-phy (Q2490558) (← links)
- Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein (Q2500350) (← links)
- Iteration scheme for solving the system of coupled integro-differential equations for excited and ionized states of molecular systems (Q2633232) (← links)
- First-principles research of interaction between 3d-transition metal ions and a graphene divacancy on the supercomputer base (Q2656416) (← links)
- Practical electronic ground- and excited-state calculation method for lanthanide complexes based on frozen core potential approximation to \(4f\) electrons (Q2688450) (← links)
- Computer simulation of periodic nanostructures (Q2988308) (← links)
- Solvers for $\mathcal{O} (N)$ Electronic Structure in the Strong Scaling Limit (Q3464425) (← links)
- Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine, and Water Revised (Q4643555) (← links)
- (Q4762587) (← links)
- HIGH-ORDER HARMONIC GENERATION IN DIATOMIC MOLECULES: QUANTUM INTERFERENCE, NODAL STRUCTURES AND MULTIPLE ORBITALS (Q4917472) (← links)
- Computational tools for the electron localization function topological analysis (Q4933872) (← links)
- Quantum Chemistry (Third Edition) (Q5018362) (← links)
- Topological indices of maximal outerplane graphswith two simplicial vertices (Q5040956) (← links)
- Faster quantum chemistry simulation on fault-tolerant quantum computers (Q5137802) (← links)
- Molecular Modeling of Hydrogen Bonding Fluids: Formic Acid and Ethanol + R227ea (Q5745297) (← links)
- (Q5852799) (← links)
- An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory (Q5864689) (← links)
- Application of the method of continued fractions to electron scattering by polyatomic molecules (Q5938245) (← links)
