Quantum Metropolis · Quantum Mechanics software

Software based on Monte Carlo method of calculation.

Quantum Monte Carlo encompasses a large family of computational methods whose common aim is the study of complex quantum systems. Monte Carlo integration – the process of numerically estimating the mean of a probability distribution by averaging samples – is used in financial risk analysis, drug development, supply chain logistics and throughout other business and scientific applications. Metropolis Monte Carlo method has been used in a variety of different ways for the simulation of continuum quantum many-body systems.

NUCLEI Software 1.0

This program is a molecular modeling package that specializes in nuclear structure calculations. Nuclei is an ab initio quantum mechanics package for both gas and solution phase simulations. GAMESS is a program for ab initio quantum chemistry that can compute wave functions ranging from RHF, ROHF, UHF, GVB, and MCSCF, with CI and MP2 energy corrections available for some of these.

Bubble Chamber

Gaussian is used to study molecules and reactions of definite or potential interest, including both stable species and compounds which are difficult or impossible to observe experimentally: short-lived intermediates, transition structures, etc. It can predict energies, molecular structures, vibrational frequencies-along with the numerous molecular properties