Edward Valeev
Virginia Polytechnic Institute and State University
H-index: 50
North America-United States
Top articles of Edward Valeev
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Economical quasi-Newton unitary optimization of electronic orbitals | Physical Chemistry Chemical Physics | Samuel A Slattery Kshitijkumar A Surjuse Charles C Peterson Deborah A Penchoff Edward F Valeev | 2024 |
Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory | The Journal of Physical Chemistry A | Tianyuan Zhang Samragni Banerjee Lauren N Koulias Edward F Valeev A Eugene DePrince III | 2024/4/23 |
Relativistic coupled cluster with completely renormalized and perturbative triples corrections | arXiv preprint arXiv:2404.13231 | Stephen H Yuwono Run R Li Tianyuan Zhang Edward F Valeev Xiaosong Li | 2024/4/20 |
CoNST: Code Generator for Sparse Tensor Networks | arXiv preprint arXiv:2401.04836 | Saurabh Raje Yufan Xu Atanas Rountev Edward F Valeev Saday Sadayappan | 2024/1/9 |
Economical Quasi-Newton Self Consistent Field Solver | arXiv preprint arXiv:2307.00560 | Samuel A Slattery Kshitijkumar Surjuse Edward F Valeev | 2023/7/2 |
Memory-efficient recursive evaluation of 3-center Gaussian integrals | Journal of Chemical Theory and Computation | Andrey Asadchev Edward F Valeev | 2023/3/14 |
Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory | The Journal of Chemical Physics | David B Williams-Young Andrey Asadchev Doru Thom Popovici David Clark Jonathan Waldrop | 2023/6/21 |
High-performance evaluation of high angular momentum 4-center Gaussian integrals on modern accelerated processors | The Journal of Physical Chemistry A | Andrey Asadchev Edward F Valeev | 2023/12/13 |
Comment on “Canonical transcorrelated theory with projected Slater-type geminals”[J. Chem. Phys. 136, 084107 (2012)] | The Journal of Chemical Physics | Conner Masteran Ashutosh Kumar Nakul Teke Bimal Gaudel Takeshi Yanai | 2023/2/7 |
Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules | Journal of Chemical Theory and Computation | Yuqi Wang Yang Guo Frank Neese Edward F Valeev Wei Li | 2023/11/3 |
PluginPlay: Enabling exascale scientific software one module at a time | The Journal of Chemical Physics | Ryan M Richard Kristopher Keipert Jonathan Waldrop Murat Keçeli David Williams-Young | 2023/5/14 |
Direct determination of optimal real-space orbitals for correlated electronic structure of molecules | Journal of Chemical Theory and Computation | Edward F Valeev Robert J Harrison Adam A Holmes Charles C Peterson Deborah A Penchoff | 2023/10/4 |
Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry | Nature communications | Seunghoon Lee Joonho Lee Huanchen Zhai Yu Tong Alexander M Dalzell | 2023/4/7 |
A perspective on sustainable computational chemistry software development and integration | Journal of Chemical Theory and Computation | Rosa Di Felice Maricris L Mayes Ryan M Richard David B Williams-Young Garnet Kin-Lic Chan | 2023/9/28 |
SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory … | The Journal of chemical physics | Fabijan Pavošević Chong Peng Peter Pinski Christoph Riplinger Frank Neese | 2017/5/7 |
Pushing the Boundaries of Small Tasks: Scalable Low-Overhead Data-Flow Programming in TTG | Joseph Schuchart Poornima Nookala Thomas Herault Edward F Valeev George Bosilca | 2022/9/5 | |
Quantum simulation of molecular electronic states with a transcorrelated Hamiltonian: Higher accuracy with fewer qubits | Journal of Chemical Theory and Computation | Ashutosh Kumar Ayush Asthana Conner Masteran Edward F Valeev Yu Zhang | 2022/8/19 |
Generalized flow-graph programming using template task-graphs: initial implementation and assessment | Joseph Schuchart Poornima Nookala Mohammad Mahdi Javanmard Thomas Herault Edward F Valeev | 2022/5/30 | |
Efficient construction of canonical polyadic approximations of tensor networks | Journal of Chemical Theory and Computation | Karl Pierce Edward F Valeev | 2022/12/9 |
Accurate quantum simulation of molecular ground and excited states with a transcorrelated hamiltonian | arXiv preprint arXiv:2201.09852 | Ashutosh Kumar Ayush Asthana Conner Masteran Edward F Valeev Yu Zhang | 2022/1/24 |
