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MIT License ( free software) [ 6][ 7] Website. atom .io. Atom is a free and open-source text and source-code editor for macOS, Linux, and Windows with support for plug-ins written in JavaScript, and embedded Git control. Developed by GitHub, Atom was released on June 25, 2015.
Machine-learned interatomic potential. Beginning in the 1990s, researchers have employed machine learning programs to construct interatomic potentials, mapping atomic structures to their potential energies. These potentials are generally referred to as 'machine-learned interatomic potentials' (MLIPs) or simply 'machine learning potentials' (MLPs).
Website. www .lammps .org. Large-scale Atomic/Molecular Massively Parallel Simulator ( LAMMPS) is a molecular dynamics program from Sandia National Laboratories. [1] LAMMPS makes use of Message Passing Interface (MPI) for parallel communication and is free and open-source software, distributed under the terms of the GNU General Public License. [1]
Atom is a concurrent programming language intended for embedded applications. Atom features compile time task scheduling and generates code with deterministic execution time and memory use, simplifying worst case execution time analysis for applications that need hard realtime performance. Atom's concurrency model is that of guarded atomic ...
Atomistix ToolKit. Atomistix ToolKit ( ATK) is a commercial software for atomic-scale modeling and simulation of nanosystems. The software was originally developed by Atomistix A/S, and was later acquired by QuantumWise following the Atomistix bankruptcy. [1] QuantumWise was then acquired by Synopsys in 2017.
Quantum information is the information of the state of a quantum system. It is the basic entity of study in quantum information theory, [1] [2] [3] and can be manipulated using quantum information processing techniques. Quantum information refers to both the technical definition in terms of Von Neumann entropy and the general computational term.
WIEN2k. The WIEN2k package is a computer program written in Fortran which performs quantum mechanical calculations on periodic solids. It uses the full-potential (linearized) augmented plane-wave and local-orbitals [FP- (L)APW+lo] basis set to solve the Kohn–Sham equations of density functional theory . WIEN2k was originally developed by ...
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.