Ad
related to: atomic learning software tutorial
Search results
Results From The WOW.Com Content Network
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).
Quantum ESPRESSO. Quantum ESPRESSO is a suite for first-principles electronic-structure calculations and materials modeling, distributed for free and as free software under the GNU General Public License. It is based on density-functional theory, plane wave basis sets, and pseudopotentials (both norm-conserving and ultrasoft).
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]
Atomistix ToolKit. QuantumATK (formerly Atomistix ToolKit or 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.
GAMESS (US) General Atomic and Molecular Electronic Structure System (GAMESS (US)) is computer software for computational chemistry. [1][2][3][4][5] The original code started on October 1, 1977 as a National Resources for Computations in Chemistry project. [6] In 1981, the code base split into GAMESS (US) and GAMESS (UK) variants, which now ...
SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is an original method and its computer program implementation, to efficiently perform electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. SIESTA uses strictly localized basis sets and the implementation of linear ...
Contents. Quantum computing. A quantum computer is a computer that exploits quantum mechanical phenomena. On small scales, physical matter exhibits properties of both particles and waves, and quantum computing leverages this behavior using specialized hardware.
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.
Ad
related to: atomic learning software tutorial