Edward Linscott

Edward Linscott

Paul Scherrer Institute - Villigen / Switzerland
Others
AD Scientific Index ID: 5945016
Institut Paul Scherrer
person_outline Edward Linscott's MOST POPULAR ARTICLES
1-) The ONETEP linear-scaling density functional theory programJCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ...The Journal of chemical physics 152 (17), 20201492020
2-) Role of spin in the calculation of Hubbard and Hund\\\\\\\'s parameters from first principlesEB Linscott, DJ Cole, MC Payne, DD O\\\\\\\'ReganPhysical Review B 98, 235157, 2018592018
3-) High-throughput determination of Hubbard U and Hund J values for transition metal oxides via linear response formalismGC Moore, MK Horton, E Linscott, AM Ganose, M Siron, DD O\\\\\\\'Regan, ...Physical Review Materials 8, 014409, 2024332024
4-) Virtual computational chemistry teaching laboratories—hands-on at a distanceR Kobayashi, TPM Goumans, NO Carstensen, TM Soini, N Marzari, ...Journal of Chemical Education 98 (10), 3163-3171, 2021262021
5-) Koopmans spectral functionals in periodic boundary conditionsN Colonna, R De Gennaro, E Linscott, N MarzariJournal of Chemical Theory and Computation 18 (9), 5435-5448, 2022202022