📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory (2020)

First Author: Dziedzic J

Attributed to: Excitations in Complex Environments: Multiphysics embedding for large scale electronic structure funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpcc.0c00762

Publication URI: http://dx.doi.org/10.1021/acs.jpcc.0c00762

Type: Journal Article/Review

Parent Publication: The Journal of Physical Chemistry C

Issue: 14

ISSN: 1932-7447