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MyMathLab is an online interactive and educational system designed by Pearson Education to accompany its published math textbooks. It covers courses from basic math through calculus and statistics, as well as math for business, engineering and future educators. Pearson designed MyMathLab to respond to the needs of instructors and students who ...
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.
Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No 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 ...
ORCA is an ab initio quantum chemistry program package for modern electronic structure methods including density functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods. Its main field of application is larger molecules, transition metal complexes, and their spectroscopic ...
Computational chemistry. Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules, groups of molecules, and solids. [2]
Spartan (chemistry software) Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] and thermochemical recipes including G3 (MP2) [6] and T1. [7]
Code.org. Code.org is a non-profit organization and educational website founded by Hadi and Ali Partovi [1] aimed at K-12 students that specializes in computer science. [2] The website includes free coding lessons and other resources. The initiative also targets schools in an attempt to encourage them to include more computer science classes in ...
Columbia University, officially Columbia University in the City of New York, is a private, Ivy League, research university in New York City.Established in 1754 as King's College on the grounds of Trinity Church in Manhattan, it is the oldest institution of higher education in New York and the fifth-oldest in the United States and is considered one of the most prestigious universities in the world.