Quantum bubbles in microgravity

A Tononi, F Cinti, L Salasnich - Physical Review Letters, 2020 - APS
The recent developments of microgravity experiments with ultracold atoms have produced a
relevant boost in the study of shell-shaped ellipsoidal Bose-Einstein condensates. For …

Path integral Monte Carlo investigations on doped helium clusters

R Rodriguez-Cantano, T González-Lezana… - … Reviews in Physical …, 2016 - Taylor & Francis
One of the most commonly employed methods to study doped helium clusters is the path
integral Monte Carlo (PIMC) approach. In this review we present results of recent …

Finite-temperature phases of trapped bosons in a two-dimensional quasiperiodic potential

M Ciardi, T Macrì, F Cinti - Physical Review A, 2022 - APS
We study a system of 2D trapped bosons in a quasiperiodic potential via ab initio path
integral Monte Carlo simulations, focusing on its finite-temperature properties, which have …

Ground state of asymmetric tops with DMRG: Water in one dimension

T Serwatka, PN Roy - The Journal of Chemical Physics, 2022 - pubs.aip.org
We propose an approach to compute the ground state properties of collections of interacting
asymmetric top molecules based on the density matrix renormalization group method …

Laser spectroscopy of helium solvated molecules: probing the inertial response

PL Raston - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Helium is the only solvent within which molecules can “freely” rotate, albeit with an
increased moment of inertia relative to the gas phase. Evidence for this can be obtained by …

Molecular bonding in an orbital-free-related density functional theory

S Sillaste, RB Thompson - The Journal of Physical Chemistry A, 2022 - ACS Publications
A density functional theory based on polymer self-consistent field theory is applied to
systems of two atoms in order to show that this approach is capable of predicted molecular …

Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperatures

KP Bishop, PN Roy - The Journal of Chemical Physics, 2018 - pubs.aip.org
Free energy calculations are a crucial part of understanding chemical systems but are often
computationally expensive for all but the simplest of systems. Various enhanced sampling …

Path-integral Monte Carlo method for Rényi entanglement entropies

CM Herdman, S Inglis, PN Roy, RG Melko… - Physical Review E, 2014 - APS
We introduce a quantum Monte Carlo algorithm to measure the Rényi entanglement
entropies in systems of interacting bosons in the continuum. This approach is based on a …

[HTML][HTML] Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective

F Brieuc, C Schran, F Uhl, H Forbert… - The Journal of Chemical …, 2020 - pubs.aip.org
Superfluid helium has not only fascinated scientists for centuries but is also the ideal matrix
for the investigation of chemical systems under ultra-cold conditions in helium nanodroplet …

Onset of rotational decoupling for a molecular ion solvated in helium: From tags to rings and shells

JA Davies, C Schran, F Brieuc, D Marx, AM Ellis - Physical Review Letters, 2023 - APS
Little is known about how rotating molecular ions interact with multiple He 4 atoms and how
this relates to microscopic superfluidity. Here, we use infrared spectroscopy to investigate …