6 citations · 18 across the 9 of their papers we have counts for
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Quantum phases in endofullerene zigzag chains
Tobias Serwatka, Muhammad Shaeer Moeed, Roger G. Melko +1
We employ large-scale density matrix renormalization group calculations to study the quantum phases of dipolar molecules confined in bent (zigzag) endofullerene chains, as a functi…
Effective theory of quantum phases in the dipolar planar rotor chain
Estêvão V. B. de Oliveira, Muhammad Shaeer Moeed, Pierre-Nicholas Roy
In this work, we develop a theoretical description of the collective behavior of interacting dipolar planar rotors by using time independent perturbation theory and a small angle q…
Path Integral Monte Carlo in the Angular Momentum Basis for a Chain of Planar Rotors
Estêvão de Oliveira, Muhammad Shaeer Moeed, Pierre-Nicholas Roy
We introduce a Path Integral Monte Carlo (PIMC) approach that uses the angular momentum representation for the description of interacting rotor systems. Such a choice of representa…
Path-integral Monte Carlo simulations of solid parahydrogen using two-body, three-body, and four-body ab initio interaction potential energy surfaces
Alexander Ibrahim, Pierre-Nicholas Roy
We present path integral Monte Carlo simulation results for the equation of state of solid parahydrogen between and at K. T…
A neural network-based four-body potential energy surface for parahydrogen
Alexander Ibrahim, Pierre-Nicholas Roy
We present an isotropic ab initio (para-H) four-body interaction potential energy surface (PES). The electronic structure calculations are performed at the correlated coupl…
Pair Approximating the Action For Molecular Rotations in Path Integral Monte Carlo
Shaeer Moeed, Tobias Serwatka, Pierre-Nicholas Roy
Typical path integral Monte Carlo approaches use the primitive approximation to compute the probability density for a given path. In this work, we develop the pair Discrete Variabl…
Path integral Monte Carlo in a discrete variable representation with Gibbs sampling: dipolar planar rotor chain
Wenxue Zhang, Muhammad Shaeer Moeed, Andrew Bright +3
In this work, we propose a Path Integral Monte Carlo (PIMC) approach based on discretized continuous degrees of freedom and rejection-free Gibbs sampling. The ground state properti…
Quantum criticality in chains of planar rotors with dipolar interactions
Tobias Serwatka, Pierre-Nicholas Roy
In this contribution we perform a density matrix renormalization group study of chains of planar rotors interacting via dipolar interactions. By exploring the ground state from wea…