enow.com Web Search

Search results

1. Results from the WOW.Com Content Network

2. List of quantum chemistry and solid-state physics software

   en.wikipedia.org/wiki/List_of_quantum_chemistry...

   Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.

3. Comparison of software for molecular mechanics modeling

   en.wikipedia.org/wiki/Comparison_of_software_for...

   High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes Yes No No No No Helix, loop, and side chain optimizing, fast energy minimizing Proprietary: PLOP wiki ...

4. List of software for nanostructures modeling - Wikipedia

   en.wikipedia.org/wiki/List_of_software_for...

   This is a list of notable computer programs that are used to model nanostructures at the levels of classical mechanics [1] and quantum mechanics. Furiousatoms [2] - a powerful software for molecular modelling and visualization; Aionics.io [3] - a powerful platform for nanoscale modelling; Ascalaph Designer; Atomistix ToolKit and Virtual NanoLab ...

5. List of molecular graphics systems - Wikipedia

   en.wikipedia.org/wiki/List_of_molecular_graphics...

   Standalone program [22] Edit, visualize and run simulations on various molecular systems. Spartan: MM QM: Proprietary [23] Standalone program [24] Visualize and edit biomolecules, extract bound ligands from PDB files for further computational analysis, full molecular mechanics and quantum chemical calculations package with streamlined graphical ...

6. List of software for Monte Carlo molecular modeling - Wikipedia

   en.wikipedia.org/wiki/List_of_software_for_Monte...

   This is a list of computer programs that use Monte Carlo methods for molecular modeling. Abalone classical Hybrid MC; BOSS classical; CASINO quantum [1] Cassandra classical [2] CP2K; FEASST classical [3] GOMC classical [4] Internal_Coordinate_Mechanics ICM by MolSoft classical [5] MacroModel classical; Materials Studio classical; ms2 [6] [7] [8 ...

7. Quantum programming - Wikipedia

   en.wikipedia.org/wiki/Quantum_programming

   Quantum programming is the process of designing or assembling sequences of instructions, called quantum circuits, using gates, switches, and operators to manipulate a quantum system for a desired outcome or results of a given experiment.

8. List of computer simulation software - Wikipedia

   en.wikipedia.org/wiki/List_of_computer...

   FreeFem++ - Free, open-source, multiphysics Finite Element Analysis (FEA) software. Freemat - a free environment for rapid engineering, scientific prototyping and data processing using the same language as MATLAB and GNU Octave. Gekko - simulation software in Python with machine learning and optimization

9. PQS (software) - Wikipedia

   en.wikipedia.org/wiki/PQS_(software)

   PQS is a general purpose quantum chemistry program. Its roots go back to the first ab initio gradient program developed in Professor Peter Pulay's group but now it is developed and distributed commercially by Parallel Quantum Solutions. There is a reduction in cost for academic users and a site license.