Search

Categories

Catalysis

(2)

Energy

(1)

Physical Chemistry

(2)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(2)

Last 3 years

(1)

Keywords

Authors

Steen Lysgaard

3 results in Authors: Steen Lysgaard

Theoretical and Computational Chemistry

Machine Learning Accelerated Genetic Algorithms for Computational Materials Search

Steen Lysgaard, Paul C. Jennings, Jens Strabo Hummelshøj, Thomas Bligaard, Tejs Vegge

Version 2 posted 10 December 2018

1,095

Downloads

Ab Initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries

David Carrasco-Busturia, Steen Lysgaard, Piotr Jankowski, Tejs Vegge, Arghya Bhowmik, Juan Maria García Lastra

Version 2 posted 08 March 2021

578

Downloads

Theoretical and Computational Chemistry

Rapid mapping of alloy surface phase diagrams via Bayesian evolutionary multitasking

Shuang Han, Steen Lysgaard, Tejs Vegge, Heine Anton Hansen

Version 4 posted 28 April 2023

884

Downloads