6 papers
Qubit encodings for lattices of dipolar planar rotors
Muhammad Shaeer Moeed, James Brown, Alexander Ibrahim +2
Near term quantum devices have recently garnered significant interest as promising candidates for investigating difficult-to-probe regimes in many-body physics. To this end, variou…
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.…
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…
Equation of state of solid parahydrogen using ab initio two-body and three-body interaction potentials
Alexander Ibrahim, Pierre-Nicholas Roy
We present the equation of state (EOS) of solid parahydrogen between and at K, calculated using path-integral Monte Carlo si…
Three-body potential energy surface for parahydrogen
Alexander Ibrahim, Pierre-Nicholas Roy
We present a 3D isotropic ab initio three-body (para-H) interaction potential energy surface (PES). The electronic structure calculations are carried out at the correlated…
Equation of State and First Principles Prediction of the Vibrational Matrix Shift of Solid Parahydrogen
Alexander Ibrahim, Lecheng Wang, Tom Halverson +2
We generate the equation of state (EOS) of solid parahydrogen using a path-integral Monte Carlo (PIMC) simulation based on a highly accurate first-principles adiabatic hindered rot…