Edward Valeev

34PUBLICATIONS
70CO-AUTHORS
Evolutionary computationStatistical mechanics in chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterFormal methods for softwareCondensed matter modelling and density functional theory
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Publications (34)

|Apr 13, 2026
SeQuant framework for symbolic and numerical tensor algebra. I. Core capabilities.

Bimal Gaudel, Robert G Adam, Ajay Melekamburath

|Mar 26, 2026
SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change.

Kshitijkumar A Surjuse, Edward F Valeev

|Oct 25, 2025
Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets.

Kshitijkumar A Surjuse, Edward F Valeev

|Oct 13, 2025
Implementation of McMurchie-Davidson Algorithm for Gaussian AO Integrals Suited for SIMD Processors.

Andrey Asadchev, Edward F Valeev

|Oct 13, 2025
Toward a Balanced Description of Ground and Excited States with Transcorrelated F12 Methods.

Conner Masteran, Bimal Gaudel, Edward F Valeev

|Sep 10, 2025
Slimmer Geminals For Accurate F12 Electronic Structure Models.

Samuel R Powell, Kshitijkumar A Surjuse, Bimal Gaudel

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Frequent Collaborators

5 joint publications

Theresa L Windus

5 joint publications

Wibe de Jong

4 joint publications

Xiaosong Li

4 joint publications

David Williams-Young