A. Lamaire

Towards a molecular level understanding of chemical and physical phenomena in metal-organic frameworks

J. Wieme, C. Caratelli, R. Demuynck, A. De Vos, J. Hajek, A.E.J. Hoffman, A. Lamaire, K. Lejaeghere, S.M.J. Rogge, S. Vandenbrande, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

Congrès français des MOFs

Paris, France

Wednesday, 16 May, 2018 to Thursday, 17 May, 2018

Towards a reliable quantum mechanical description of excited states in open-shell transition metal complexes

Structural characterization of solvents confined in zeolites

Accurate estimation of the temperature-dependent entropy of flexible Metal-Organic Frameworks

On the importance of NQEs in modelling the structural properties and thermal expansion of MOF-5

A. Lamaire, J. Wieme, S.M.J. Rogge, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

MolSim 2018

Amsterdam, The Netherlands

Thursday, 11 January, 2018

On the importance of nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5

A. Lamaire, J. Wieme, S.M.J. Rogge, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

EUROMOF 2017

Delft, The Netherlands

Monday, 30 October, 2017

Aran Lamaire

Introducing nuclear quantum effects in metal-organic frameworks via a colored-noise thermostat

A. Lamaire

Master of Science in Engineering Physics

2017

Supervisors

Prof. Dr. ir. Veronique Van Speybroeck

Pages