Search

Categories

Energy

(2)

Materials Science

(2)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(4)

Published Date

Over 3 years

(2)

Last 3 years

(2)

Keywords

Tight Binding

Authors

4 results in Keywords: Tight Binding

Theoretical and Computational Chemistry

A Robust and Efficient Implicit Solvation Model for Fast Semiempirical Methods

Sebastian Ehlert, Marcel Stahn, Sebastian Spicher, Stefan Grimme

Version 1 posted 10 May 2021

1,422

Downloads

1

Citations

Materials Science

Tuning Valley Degeneracy with Band Inversion

Michael Y. Toriyama, Madison K. Brod, Lidia C. Gomes, Ferdaushi A. Bipasha, Badih A. Assaf, Elif Ertekin, G. Jeffrey Snyder

Version 1 posted 08 September 2021

625

Downloads

Theoretical and Computational Chemistry

Machine learned calibrations to high-throughput molecular excited state calculations

Shomik Verma, Miguel Rivera, David O. Scanlon, Aron Walsh

Version 2 posted 01 March 2022

578

Downloads

Theoretical and Computational Chemistry

Excited-state properties for extended systems: Efficient hybrid density functional methods.

Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, Sergey K. Chulkov, Matthew B. Watkins, Jürg Hutter

Version 1 posted 14 February 2022

999

Downloads