Publications by authors named "Robert Parrish"

Claim this Profile
M
Molecular Properties from Quantum Krylov Subspace Diagonalization.
Oumarou Oumarou, Pauline J Ollitrault, Cristian L Cortes, Maximilian Scheurer, Robert M Parrish

J Chem Theory Comput· May 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Real-space observation of the dissociation of a transition metal complex and its concurrent energy redistribution.
Aviad Schori, Elisa Biasin, Ambar Banerjee, Sébastien Boutet, Philip H Bucksbaum, Robert M Parrish

Nat Commun· May 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Enhancing Initial State Overlap through Orbital Optimization for Faster Molecular Electronic Ground-State Energy Estimation.
Pauline J Ollitrault, Cristian L Cortes, Jérôme F Gonthier, Robert M Parrish, Dario Rocca

Phys Rev Lett· December 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Reducing the Runtime of Fault-Tolerant Quantum Simulations in Chemistry through Symmetry-Compressed Double Factorization.
Dario Rocca, Cristian L Cortes, Jérôme F Gonthier, Pauline J Ollitrault, Robert M Parrish

J Chem Theory Comput· June 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum Computer.
Pauline J Ollitrault, Matthias Loipersberger, Robert M Parrish, Alexander Erhard, Christine Maier

ACS Cent Sci· April 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Efficient quantum analytic nuclear gradients with double factorization.
Edward G Hohenstein, Oumarou Oumarou, Rachael Al-Saadon, Gian-Luca R Anselmetti, Maximilian Scheurer, Robert M Parrish

J Chem Phys· March 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers second-order symmetry-adapted perturbation theory.
Matthias Loipersberger, Fionn D Malone, Alicia R Welden, Robert M Parrish, Thomas Fox

Chem Sci· March 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Towards the simulation of large scale protein-ligand interactions on NISQ-era quantum computers.
Fionn D Malone, Robert M Parrish, Alicia R Welden, Thomas Fox, Matthias Degroote

Chem Sci· March 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudes.
Edward G Hohenstein, B Scott Fales, Robert M Parrish, Todd J Martínez

J Chem Phys· February 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Selection and Characterization of Mutants Defective in DNA Methylation in .
Andrew D Klocko, Calvin A Summers, Marissa L Glover, Robert Parrish, William K Storck

Genetics· November 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
An ab initio exciton model for singlet fission.
Xin Li, Robert M Parrish, Todd J Martínez

J Chem Phys· November 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
N
Nonadiabatic Dynamics of Photoexcited -Stilbene Using Ab Initio Multiple Spawning.
Hayley Weir, Monika Williams, Robert M Parrish, Edward G Hohenstein, Todd J Martínez

J Phys Chem B· July 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Psi4 1.4: Open-source software for high-throughput quantum chemistry.
Daniel G A Smith, Lori A Burns, Andrew C Simmonett, Robert M Parrish, Matthew C Schieber

J Chem Phys· May 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction.
Jie Yang, Xiaolei Zhu, J Pedro F Nunes, Jimmy K Yu, Robert M Parrish

Science· May 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Rank reduced coupled cluster theory. II. Equation-of-motion coupled-cluster singles and doubles.
Edward G Hohenstein, Yao Zhao, Robert M Parrish, Todd J Martínez

J Chem Phys· October 2019

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
O
Observation of Ultrafast Intersystem Crossing in Thymine by Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy.
Thomas J A Wolf, Robert M Parrish, Rolf H Myhre, Todd J Martínez, Henrik Koch

J Phys Chem A· August 2019

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation.
Benjamin Thomson, Johan Both, Yufan Wu, Robert M Parrish, Todd J Martínez

J Phys Chem B· June 2019

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver.
Robert M Parrish, Edward G Hohenstein, Peter L McMahon, Todd J Martínez

Phys Rev Lett· June 2019

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Rank reduced coupled cluster theory. I. Ground state energies and wavefunctions.
Robert M Parrish, Yao Zhao, Edward G Hohenstein, Todd J Martínez

J Chem Phys· April 2019

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
Ab Initio Computation of Rotationally-Averaged Pump-Probe X-ray and Electron Diffraction Signals.
Robert M Parrish, Todd J Martínez

J Chem Theory Comput· March 2019

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
L
Large-Scale Functional Group Symmetry-Adapted Perturbation Theory on Graphical Processing Units.
Robert M Parrish, Keiran C Thompson, Todd J Martínez

J Chem Theory Comput· March 2018

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
An Ab Initio Exciton Model Including Charge-Transfer Excited States.
Xin Li, Robert M Parrish, Fang Liu, Sara I L Kokkila Schumacher, Todd J Martínez

J Chem Theory Comput· August 2017

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.
Robert M Parrish, Lori A Burns, Daniel G A Smith, Andrew C Simmonett, A Eugene DePrince

J Chem Theory Comput· July 2017

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The Surprising Importance of Peptide Bond Contacts in Drug-Protein Interactions.
Robert M Parrish, Doree F Sitkoff, Daniel L Cheney, C David Sherrill

Chemistry· June 2017

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Î
α-CASSCF: An Efficient, Empirical Correction for SA-CASSCF To Closely Approximate MS-CASPT2 Potential Energy Surfaces.
James W Snyder, Robert M Parrish, Todd J Martínez

J Phys Chem Lett· June 2017

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis