15 citations · 26 across the 6 of their papers we have counts for
6 papers
Graph Neural Networks for Fast Operator Selection in Adaptive VQE
Javad Vahedi, Hadi H. Arefi
Adaptive variational quantum algorithms like ADAPT-VQE construct tailored ansätze by iteratively selecting operators from a pool using gradient-based criteria. While this avoids ov…
Sequential replica exchange with solute tempering for atomistic modeling of supramolecular polymer structures
Hadi H. Arefi, Takeshi Yamamoto
Predicting detailed atomistic structures of self-assembling systems remains a challenge for all-atom molecular dynamics simulations. Replica exchange with solute tempering (REST) h…
The electrostatic potential of atomic nanostructures on a metal surface
Rustem Bolat, Jose M. Guevara, Philipp Leinen +9
The discrete and charge-separated nature of matter - electrons and nuclei - results in local electrostatic fields that are ubiquitous in nanoscale structures and are determined by…
Disentangling the Complex Electronic Structure of an Adsorbed Nanographene: Cycloarene C108
Jose Martinez-Castro, Rustem Bolat, Qitang Fan +9
We combine low-temperature scanning tunneling spectroscopy, CO functionalized tips and algorithmic data analysis to investigate the electronic structure of the molecular cycloarene…
Self-assembly of a model supramolecular polymer studied by replica exchange with solute tempering
Hadi H. Arefi, Takeshi Yamamoto
Conventional molecular-dynamics (cMD) simulation has a well-known limitation in accessible time and length scales, and thus various enhanced sampling techniques have been proposed…
Substitutional doping of Cu in diamond: Mott physics with orbitals
H. Hassanian Arefi, S. A. Jafari, M. R. Abolhassani
Discovery of superconductivity in the impurity band formed by heavy doping of boron into diamond (C:B) as well as doping of boron into silicon (Si:B) has provided a rout for the po…