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—Continuum quantum Monte Carlo (QMC) has proved to be an invaluable tool for predicting the properties of matter from fundamental principles. By solving the manybody Schr¨odinge...
Kenneth Esler, Jeongnim Kim, David M. Ceperley, Lu...
– Efficient implementations of the Discrete Fourier Transform (DFT) for GPUs provide good performance with large data sizes, but are not competitive with CPU code for small data ...
Many body trial wave functions are the key ingredient for accurate Quantum Monte Carlo estimates of total electronic energies in many electron systems. In the Coupled Electron-Ion...
Carlo Pierleoni, Kris T. Delaney, Miguel A. Morale...
Abstract. We discuss the parallelization and object-oriented implementation of Monte Carlo simulations for physical problems. We present a C++ Monte Carlo class library for the aut...