logo
CanyamAI summaries for academic research
language
MobileMobile
  • Phone FeatureWeChat Mini Program
EnglishEnglish
noticeNotice
BlogBlog
delete
arrow
Back
E

Edward F. Valeev

Virginia Tech

46H-index
202Paper Count
1.4WCitation Count
Published Papers 88
Publication Date
logo
SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-26
err0
errOAAI
errKshitijkumar A. Surjuse; Edward F. Valeev
errShare
errSave
Toward a Balanced Description of Ground and Excited States with Transcorrelated F12 Methods
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-13
err0
errOAAI
errConner Masteran; Bimal Gaudel; Edward F. Valeev
errShare
errSave
Implementation of McMurchie–Davidson Algorithm for Gaussian AO Integrals Suited for SIMD Processors
errThe Journal of Physical Chemistry A
IF2.8
err2025-10-13
err0
errOAAI
errAndrey Asadchev; Edward F. Valeev
errShare
errSave
Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-10-01
err1
PREAI
errSurjuse, Kshitijkumar A.; Valeev, Edward F.
errShare
errSave
Revisiting Artifacts of Kohn-Sham Density Functionals for Biosimulation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-31
err3
errOAAI
errSlattery, Samuel A.; Yon, Jaden C.; Valeev, Edward F.
errShare
errSave
3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-27
err3
errOAAI
errAsadchev, Andrey; Valeev, Edward F.
errShare
errSave
Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-03
err4
PREAI
errWang, Yuqi; Guo, Yang; Neese, Frank; Valeev, Edward F.; Li, Wei; Li, Shuhua
errShare
errSave
Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-04
err2
errOAAI
errValeev, Edward F.; Harrison, Robert J.; Holmes, Adam A.; Peterson, Charles C.; Penchoff, Deborah A.
errShare
errSave
A Perspective on Sustainable Computational Chemistry Software Development and Integration
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-28
err22
errOAAI
errDi Felice, Rosa; Mayes, Maricris L.; Richard, Ryan M.; Williams-Young, David B.; Chan, Garnet Kin-Lic; de Jong, Wibe A.; Govind, Niranjan; Head-Gordon, Martin; Hermes, Matthew R.; Kowalski, Karol; Li, Xiaosong; Lischka, Hans; Mueller, Karl T.; Mutlu, Erdal; Niklasson, Anders M. N.; Pederson, Mark R.; Peng, Bo; Shepard, Ron; Valeev, Edward F.; van Schilfgaarde, Mark; Vlaisavljevich, Bess; Windus, Theresa L.; Xantheas, Sotiris S.; Zhang, Xing; Zimmerman, Paul M.
errShare
errSave
Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-16
err13
errOAAI
errWilliams-Young, David B.; Asadchev, Andrey; Popovici, Doru Thom; Clark, David; Waldrop, Jonathan; Windus, Theresa L.; Valeev, Edward F.; de Jong, Wibe A.
errShare
errSave
PluginPlay: Enabling exascale scientific software one module at a time
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-12
err5
errOAAI
errRichard, Ryan M. M.; Keipert, Kristopher; Waldrop, Jonathan; Keceli, Murat; Williams-Young, David; Bair, Raymond; Boschen, Jeffery; Crandall, Zachery; Gasperich, Kevin; Mahmud, Quazi Ishtiaque; Panyala, Ajay; Valeev, Edward; van Dam, Hubertus; de Jong, Wibe A. A.; Windus, Theresa L. L.
errShare
errSave
Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry
errNATURE COMMUNICATIONS
IF15.7
err2023-04-07
err88
errOAAI
errLee, Seunghoon; Lee, Joonho; Zhai, Huanchen; Tong, Yu; Dalzell, Alexander M.; Kumar, Ashutosh; Helms, Phillip; Gray, Johnnie; Cui, Zhi-Hao; Liu, Wenyuan; Kastoryano, Michael; Babbush, Ryan; Preskill, John; Reichman, David R.; Campbell, Earl T.; Valeev, Edward F.; Lin, Lin; Chan, Garnet Kin-Lic
errShare
errSave
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
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-30
err1
errOAAI
errGuo, Yang; Pavosevic, Fabijan; Sivalingam, Kantharuban; Becker, Ute; Valeev, Edward F. F.; Neese, Frank
errShare
errSave
Memory-Efficient Recursive Evaluation of 3-Center Gaussian Integrals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-14
err7
errOAAI
errAsadchev, Andrey; Valeev, Edward F.
errShare
errSave
Comment on Canonical transcorrelated theory with projected Slater-type geminals [J. Chem. Phys. 136, 084107 (2012)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-01
err1
errOAAI
errMasteran, Conner; Kumar, Ashutosh; Teke, Nakul; Gaudel, Bimal; Yanai, Takeshi; Valeev, Edward F.
errShare
errSave
Efficient Construction of Canonical Polyadic Approximations of Tensor Networks
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-09
err3
errOAAI
errPierce, Karl; Valeev, Edward F.
errShare
errSave
Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-19
err28
errOAAI
errKumar, Ashutosh; Asthana, Ayush; Masteran, Conner; Vleev, Edward F.; Zhang, Yu; Cincio, Lukasz; Tretiak, Sergei; Dub, Pavel A.
errShare
errSave
Robust Pipek-Mezey Orbital Localization in Periodic Solids
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-11-05
err8
errOAAI
errClement, Marjory C.; Wang, Xiao; Valeev, Edward F.
errShare
errSave
Efficient Four-Component Dirac-Coulomb-Gaunt Hartree-Fock in the Pauli Spinor Representation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-05-24
err31
errOAAI
errSun, Shichao; Stetina, Torin F.; Zhang, Tianyuan; Hu, Hang; Valeev, Edward F.; Sun, Qiming; Li, Xiaosong
errShare
errSave
Robust Approximation of Tensor Networks: Application to Grid-Free Tensor Factorization of the Coulomb Interaction
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-03-29
err15
errOAAI
errPierce, Karl; Rishi, Varun; Valeev, Edward F.
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
J
Jean‐Luc Brédas
H-index: 151 · Papers: 1.5K
F
Frank Neese
H-index: 141 · Papers: 977
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
H
Henry F. Schaefer
H-index: 128 · Papers: 2.2K
W
William L. Jorgensen
H-index: 120 · Papers: 781
View more