Publications by authors named "Edward Valeev"

Claim this Profile

Mentions over time

Mentions by platform

Video Views

17

Total Likes

12

Extended Reach

18,464

Social Features

11
P
Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets.
Kshitijkumar A Surjuse, Edward F Valeev

J Chem Theory Comput· November 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Toward a Balanced Description of Ground and Excited States with Transcorrelated F12 Methods.
Conner Masteran, Bimal Gaudel, Edward F Valeev

J Chem Theory Comput· October 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Implementation of McMurchie-Davidson Algorithm for Gaussian AO Integrals Suited for SIMD Processors.
Andrey Asadchev, Edward F Valeev

J Phys Chem A· October 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Slimmer Geminals For Accurate F12 Electronic Structure Models.
Samuel R Powell, Kshitijkumar A Surjuse, Bimal Gaudel, Edward F Valeev

J Chem Theory Comput· September 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Chemist: A Domain-Specific Language by Chemists for Chemists.
Jonathan M Waldrop, Wibe de Jong, Edward F Valeev, Theresa L Windus, Ryan M Richard

J Phys Chem A· August 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
"
"Best" Iterative Coupled-Cluster Triples Model? More Evidence for 3CC.
Nakul K Teke, Ajay Melekamburath, Bimal Gaudel, Edward F Valeev

J Phys Chem A· November 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections.
Stephen H Yuwono, Run R Li, Tianyuan Zhang, Kshitijkumar A Surjuse, Edward F Valeev

J Phys Chem A· August 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Revisiting Artifacts of Kohn-Sham Density Functionals for Biosimulation.
Samuel A Slattery, Jaden C Yon, Edward F Valeev

J Chem Theory Comput· August 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
3
3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors.
Andrey Asadchev, Edward F Valeev

J Chem Phys· June 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory.
Tianyuan Zhang, Samragni Banerjee, Lauren N Koulias, Edward F Valeev, A Eugene DePrince

J Phys Chem A· May 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Economical quasi-Newton unitary optimization of electronic orbitals.
Samuel A Slattery, Kshitijkumar A Surjuse, Charles C Peterson, Deborah A Penchoff, Edward F Valeev

Phys Chem Chem Phys· February 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
H
High-Performance Evaluation of High Angular Momentum 4-Center Gaussian Integrals on Modern Accelerated Processors.
Andrey Asadchev, Edward F Valeev

J Phys Chem A· December 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules.
Yuqi Wang, Yang Guo, Frank Neese, Edward F Valeev, Wei Li

J Chem Theory Comput· November 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A Perspective on Sustainable Computational Chemistry Software Development and Integration.
Rosa Di Felice, Maricris L Mayes, Ryan M Richard, David B Williams-Young, Garnet Kin-Lic Chan, Edward F Valeev

J Chem Theory Comput· October 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules.
Edward F Valeev, Robert J Harrison, Adam A Holmes, Charles C Peterson, Deborah A Penchoff

J Chem Theory Comput· October 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory.
David B Williams-Young, Andrey Asadchev, Doru Thom Popovici, David Clark, Jonathan Waldrop, Edward F Valeev

J Chem Phys· June 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
PluginPlay: Enabling exascale scientific software one module at a time.
Ryan M Richard, Kristopher Keipert, Jonathan Waldrop, Murat Keçeli, David Williams-Young, Edward Valeev

J Chem Phys· May 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Memory-Efficient Recursive Evaluation of 3-Center Gaussian Integrals.
Andrey Asadchev, Edward F Valeev

J Chem Theory Comput· March 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbital.
Yang Guo, Fabijan Pavošević, Kantharuban Sivalingam, Ute Becker, Edward F Valeev

J Chem Phys· March 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Comment on "Canonical transcorrelated theory with projected Slater-type geminals" [J. Chem. Phys. 136, 084107 (2012)].
Conner Masteran, Ashutosh Kumar, Nakul Teke, Bimal Gaudel, Takeshi Yanai, Edward F Valeev

J Chem Phys· February 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Efficient Construction of Canonical Polyadic Approximations of Tensor Networks.
Karl Pierce, Edward F Valeev

J Chem Theory Comput· January 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits.
Ashutosh Kumar, Ayush Asthana, Conner Masteran, Edward F Valeev, Yu Zhang

J Chem Theory Comput· September 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Robust Pipek-Mezey Orbital Localization in Periodic Solids.
Marjory C Clement, Xiao Wang, Edward F Valeev

J Chem Theory Comput· December 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Efficient Four-Component Dirac-Coulomb-Gaunt Hartree-Fock in the Pauli Spinor Representation.
Shichao Sun, Torin F Stetina, Tianyuan Zhang, Hang Hu, Edward F Valeev

J Chem Theory Comput· June 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis