30 citations · 47 across the 7 of their papers we have counts for
7 papers
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…
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…
Optimized basis sets for DMRG calculations of quantum chains of rotating water molecules
Tobias Serwatka, Pierre-Nicholas Roy
In this contribution, we employ a density matrix based optimization procedure to obtain customized basis functions to describe chains of rotating water molecules in interaction reg…
Quantum Criticality and Universal Behavior in Molecular Dipolar Lattices of Endofullerenes
Tobias Serwatka, Pierre-Nicholas Roy
Fullerene cages allow the confinement of single molecules and the construction of molecular assemblies whose properties strongly deviate from those of free species. In this work, w…
A quantum phase transition in the one-dimensional water chain
Tobias Serwatka, Roger G. Melko, Anton Burkov +1
The concept of quantum phase transitions (QPT) plays a central role in the description of condensed matter systems. In this contribution, we perform high-quality wavefunction-based…