S. Cottenier

High-Throughput Screening of Extrinsic Point Defect Properties in Si and Ge: Database and Applications

M. Sluydts, M. Pieters, J. Vanhellemont, V. Van Speybroeck, S. Cottenier

ISBN/ISSN:

Poster

Conference / event / venue

International Workshop on Machine Learning for Materials Science

Espoo, Finland

Wednesday, 8 March, 2017 to Thursday, 9 March, 2017

Error estimation in molecular dynamics simulations: nitrogen impurities in iron with empirical potentials

Machine learning for material discovery and material design

Developing new iron-nitrogen steels with ab initio thermodynamics

Voids in germanium wafers: shape prediction and shape determination

Process-property-microstructure assessment of novel High-Entropy Alloys

Error estimates for density-functional theory predictions of surface energy and work function

S. De Waele, K. Lejaeghere, M. Sluydts, S. Cottenier

69

ISBN/ISSN:

Poster

Conference / event / venue

ADIS 2016

Tegernsee, Germany

Monday, 3 October, 2016 to Friday, 7 October, 2016

A density-functional theory investigation of Fe4N and Fe16N2 precipitates in an Fe-N solid solution

S. De Waele, K. Lejaeghere, L. Duprez, R. Hubert, E. Leunis, S. Cottenier

68

ISBN/ISSN:

Poster

Conference / event / venue

ADIS 2016

Tegernsee, Germany

Monday, 3 October, 2016 to Friday, 7 October, 2016

The High-Throughput approach to Computational Materials Design

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

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Poster

Conference / event / venue

General Scientific Meeting 2016 of the Belgian Physical Society

Ghent, Belgium

Wednesday, 18 May, 2016

Everything you need to remember about density-functional theory and its reliability

S. Cottenier

ISBN/ISSN:

Invited talk

Conference / event / venue

ViCoM Young Researchers Meeting 2016

Vienna, Austria

Thursday, 22 September, 2016 to Friday, 23 September, 2016

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