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.
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