34 citations · 58 across the 6 of their papers we have counts for
5 papers · 1 filter
Parallelized Linear Classification with Volumetric Chemical Perceptrons
Christopher E. Arcadia, Hokchhay Tann, Amanda Dombroski +7
In this work, we introduce a new type of linear classifier that is implemented in a chemical form. We propose a novel encoding technique which simultaneously represents multiple da…
vdW-corrected density functional study of electric field noise heating in ion traps caused by electrode surface adsorbates
Keith G. Ray, Brenda M. Rubenstein, Wenze Gu +1
In order to realize the full potential of ion trap quantum computers, an improved understanding is required of the motional heating that trapped ions experience. Experimental studi…
Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods
Hongxia Hao, James Shee, Shiv Upadhyay +3
Neutral molecules with sufficiently large dipole moments can bind electrons in diffuse nonvalence orbitals with most of their charge density far from the nuclei, forming so-called…
Ab Initio Finite Temperature Auxiliary Field Quantum Monte Carlo
Yuan Liu, Minsik Cho, Brenda Rubenstein
We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature…
QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids
Jeongnim Kim, Andrew Baczewski, Todd D. Beaudet +45
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms,…