68 citations · 680 across the 59 of their papers we have counts for
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Physically Constrained Ensemble Gaussian Process Modelling for Expensive Quantum Systems with Heteroskedastic Noise
Arpan Biswas, Sutirtha Paul, Joseph Agada +2
Accurate modeling of quantum many-body systems often requires computationally expensive simulations such as Density Matrix Renormalization Group (DMRG) or Quantum Monte Carlo (QMC)…
Combining Harmonic Sampling with the Worm Algorithm to Improve the Efficiency of Path Integral Monte Carlo
Sourav Karmakar, Sutirtha Paul, Adrian Del Maestro +1
We propose an improved Path Integral Monte Carlo (PIMC) algorithm called Harmonic PIMC (H-PIMC) and its generalization, Mixed PIMC (M-PIMC). PIMC is a powerful tool for studying qu…
Efficient simulations of Hartree--Fock equations by an accelerated gradient descent method
Y. Ohno, A. Del Maestro, T. I. Lakoba
We develop convergence acceleration procedures that enable a gradient descent-type iteration method to efficiently simulate Hartree--Fock equations for atoms interacting both with…
Reduction of Autocorrelation Times in Lattice Path Integral Quantum Monte Carlo via Direct Sampling of the Truncated Exponential Distribution
Emanuel Casiano-Diaz, Kipton Barros, Ying Wai Li +1
In Monte Carlo simulations, proposed configurations are accepted or rejected according to an acceptance ratio, which depends on an underlying probability distribution and an a prio…