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Chemistry

D-Index
64
Citations
14930
World Ranking
8028
National Ranking
2330

Overview

Julia E. Rice is affiliated with IBM in the United States. Their research primarily addresses topics within computer science and physics and astronomy, focusing extensively on quantum computing and related areas.

Their published work spans various fields, with main research interests including:

  • Computer Science
  • Physics and Astronomy

Subfields of their work include:

  • Artificial Intelligence
  • Atomic and Molecular Physics, and Optics
  • Organic Chemistry
  • Molecular Biology
  • General Health Professions

The main topics covered in their research comprise:

  • Quantum Computing Algorithms and Architecture
  • Quantum Information and Cryptography
  • Quantum and Electron Transport Phenomena
  • Spectroscopy and Quantum Chemical Studies
  • Radical Photochemical Reactions
  • Advanced Chemical Physics Studies
  • Protein Structure and Dynamics

Julia E. Rice has contributed to numerous scientific papers including the following selected recent publications:

  • Emerging quantum computing algorithms for quantum chemistry, 2021, Wiley Interdisciplinary Reviews Computational Molecular Science
  • Reducing Qubit Requirements for Quantum Simulations Using Molecular Point Group Symmetries, 2020, Journal of Chemical Theory and Computation
  • Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices, 2021, The Journal of Physical Chemistry A
  • Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor, 2023, Chemical Science
  • Subspace methods for electronic structure simulations on quantum computers, 2024, Electronic Structure

The venues where Julia E. Rice frequently publishes include:

  • arXiv (Cornell University)
  • The Journal of Physical Chemistry A
  • Wiley Interdisciplinary Reviews Computational Molecular Science
  • Journal of Chemical Theory and Computation
  • Electronic Structure

Collaboration has formed a significant part of their research, with frequent co-authors such as:

  • Mário Motta
  • Gavin O. Jones
  • Tanvi P. Gujarati
  • Ieva Liepuoniute
  • Nam P. Nguyen

Best Publications

  • Qiskit: An Open-source Framework for Quantum Computing

    Gadi Aleksandrowicz;Thomas Alexander;Panagiotis Barkoutsos;Luciano Bello

  • Problems in the comparison of theoretical and experimental hyperpolarizabilities

    Andrew Willetts;Julia E. Rice;Donald M. Burland;David P. Shelton

  • Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase

    David P. Shelton;Julia E. Rice

  • Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application

    Andrew C. Scheiner;Gustavo E. Scuseria;Julia E. Rice;Timothy J. Lee

  • Ion solvation in polarizable water: molecular dynamics simulations

    Liem X. Dang;Julia E. Rice;James Caldwell;Peter A. Kollman

  • The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results

    Gustavo E. Scuseria;Andrew C. Scheiner;Timothy J. Lee;Julia E. Rice

  • Theoretical investigations of molecules composed only of fluorine, oxygen and nitrogen: determination of the equilibrium structures of FOOF, (NO)2 and FNNF and the transition state structure for FNNF cis-trans isomerization

    Timothy J. Lee;Julia E. Rice;Gustavo E. Scuseria;Henry F. Schaefer

  • DiscoveryLink: a system for integrated access to life sciences data sources

    L. M. Haas;P. M. Schwarz;P. Kodali;E. Kotlar

  • Solvent dependence of the second order hyperpolarizability in p-nitroaniline

    M. Stähelin;D.M. Burland;J.E. Rice

  • The Reaction Mechanism for the Organocatalytic Ring-Opening Polymerization of l-Lactide Using a Guanidine-Based Catalyst: Hydrogen-Bonded or Covalently Bound?

    Anthony Chuma;Hans W Horn;William C Swope;Russell C Pratt

  • The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S3 molecule

    Julia E. Rice;Roger D. Amos;Nicholas C. Handy;Timothy J. Lee

  • Electron correlation effects in hyperpolarizabilities of p-nitroaniline

    Fiona Sim;Steven Chin;Michel Dupuis;Julia E. Rice

  • Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15

    Lee-Ping Wang;Keri A. McKiernan;Joseph Gomes;Kyle A. Beauchamp

  • The elimination of singularities in derivative calculations

    N.C. Handy;R.D. Amos;J.F. Gaw;J.E. Rice

  • Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?

    Igor O Sokolov;Panagiotis Kl Barkoutsos;Pauline J Ollitrault;Donny Greenberg

  • Organocatalytic depolymerization of poly(ethylene terephthalate)

    Kazuki Fukushima;Olivier Coulembier;Julien M. Lecuyer;Julien M. Lecuyer;Hamid A. Almegren

  • The calculation of frequency‐dependent polarizabilities as pseudo‐energy derivatives

    Julia E. Rice;Nicholas C. Handy

  • On the necessity of f basis functions for bending frequencies

    Emmanuel D. Simandiras;Julia E. Rice;Timothy J. Lee;Roger D. Amos

  • Advanced chemical recycling of poly(ethylene terephthalate) through organocatalytic aminolysis

    Kazuki Fukushima;Julien M. Lecuyer;Julien M. Lecuyer;Di S. Wei;Hans W. Horn

  • Frequency dependent hyperpolarizabilities with application to formaldehyde and methyl fluoride

    Julia E. Rice;Roger D. Amos;Susan M. Colwell;Nicholas C. Handy

  • On the efficient evaluation of analytic energy gradients

    J.E. Rice;R.D. Amos

  • Theoretical characterization of tetrahedral N4

    Timothy J. Lee;Julia E. Rice

Frequent Co-Authors

Timothy J. Lee
Timothy J. Lee Ames Research Center
James L. Hedrick
James L. Hedrick IBM (United States)
Nicholas C. Handy
Nicholas C. Handy University of Cambridge
Henry F. Schaefer
Henry F. Schaefer University of Georgia
Roger D. Amos
Roger D. Amos Australian National University
Robert M. Waymouth
Robert M. Waymouth Stanford University
Teresa Head-Gordon
Teresa Head-Gordon University of California, Berkeley
Laura M. Haas
Laura M. Haas University of Massachusetts Amherst
Robert D. Miller
Robert D. Miller Stanford University
Gustavo E. Scuseria
Gustavo E. Scuseria Rice University

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