Center for Molecular Modeling - K. Dumon

How many materials are left to discover? An exploration of quaternary space

msluydts — Wed, 23 Jan 2019 20:55:57 +0000

M. Sluydts, M. Larmuseau, K. Dumon, T. Crepain, K. Lejaeghere, S. Cottenier

ISBN/ISSN:

Talk

Conference / event / venue

International Workshop on Machine Learning for Materials Science 2018

Aalto, Finland

Thursday, 3 May, 2018 to Friday, 4 May, 2018

Abstract (private)

MichaelSluydtsMLAalto.pdf

Speeding up materials discovery and design: from high-throughput screening to machine learning

msluydts — Wed, 23 Jan 2019 20:38:37 +0000

M. Sluydts, M. Larmuseau, K. Dumon, T. Crepain, K. Lejaeghere, S. Cottenier

ISBN/ISSN:

Invited talk

Conference / event / venue

MSNANO-18

Faisalabad, Pakistan

Monday, 19 February, 2018 to Tuesday, 20 February, 2018

How many materials are left to discover? An exploration of quaternary space

wim — Wed, 20 Jun 2018 08:40:27 +0000

M. Sluydts, M. Larmuseau, T. Crepain, K. Dumon, K. Lejaeghere, S. Cottenier

ISBN/ISSN:

Talk

Conference / event / venue

ML4MS Conference

Espoo, Finland

Thursday, 3 May, 2018 to Friday, 4 May, 2018

Abstract

ml4msabstract_book_en.pdf

Conference reference

ML4MS Conference

The High-Throughput approach to Computational Materials Design

wim — Tue, 18 Oct 2016 11:54:17 +0000

M. Sluydts, T. Crepain, K. Dumon, V. Van Speybroeck, S. Cottenier

ISBN/ISSN:

Poster

Conference / event / venue

General Scientific Meeting 2016 of the Belgian Physical Society

Ghent, Belgium

Wednesday, 18 May, 2016

Abstract (private)

The High-Throughput approach to Computational Materials Design - Contribution.pdf

Conference reference

General Scientific Meeting 2016 of the Belgian Physical Society

Hunting for new quaternary Zintl phases of the 1:1:1:4 stoichiometry

stefaan — Fri, 30 Jan 2015 09:52:44 +0000

Description

There is a large group of less well-known solids that share properties with the ionic solids as much as with the covalent solids: Zintl phases. Scientists have reasons to expect interesting and useful materials among the Zintl phases built from four (or more) elements – the quaternary Zintl phases (QZP). The 50 true QZP that are experimentally known are negligible compared to the hundreds of thousands of QZP that might potentially exist. The major bottleneck is that there are so many possibilities to examine. The goal of this project is to boost the discovery rate of QZP by searching through this huge space in the computer rather than in the lab, such that future experiments can concentrate on the most promising cases.

Period

Sunday, 1 March, 2015 to Sunday, 5 July, 2015

Node days

1 000.00 days

Users

K. Dumon, M. Sluydts, K. Lejaeghere, S. Cottenier

Downloads

TIER1-Karel-Zintl.pdf

TIER1 reference n°

2015-007

Status

Approved

Boosting the discovery rate of quaternary Zintl phases

wim — Tue, 23 Sep 2014 07:17:08 +0000

K. Dumon

Master of Science in Engineering Physics

2015

Supervisors

Prof. Dr. Stefaan Cottenier

Karel Dumon

wim — Tue, 23 Sep 2014 06:58:18 +0000