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Topic Title: Casino
Topic Summary: R. Needs et al., Univ. of Cambridge. Free quantum Monte Carlo (QMC) electronic structure calculations
Created On: 2/7/2007 9:33 PM

 2/7/2007 9:33 PM

Cathy Rohrer

Posts: 584
Joined: 2/6/2007

CASINO is a code for performing quantum Monte Carlo (QMC) electronic structure calculations for finite and periodic systems. It is applicable to finite systems such as atoms and molecules and also to systems with periodic boundary conditions in 1, 2 or 3 dimensions (polymers, slabs/surfaces, crystalline solids) with any crystal structure. Sample applications include:
• cohesive energies of crystals
• formation energies of self-interstitial defects in silicon
• optical and chemical properties of hydrogen-terminated carbon nanoparticles
• equation of state of neon
The code runs on Unix/Linux systems.

Citation: R.J. Needs, M.D. Towler, N.D. Drummond and P. López Ríos, CASINO version 2.1 User Manual, University of Cambridge, Cambridge (2007).

Recommended reading:
W.M.C. Foulkes, L. Mitas, R.J. Needs, G. Rajagopal, "Quantum Monte Carlo simulations of solids," Reviews of Modern Physics, 73, 1, January 2001, pp 33-83.

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