Aran Lamaire

PhD-FWO Fellow (EA17)
+32 (0)9 264 65 61
​​​​​Tech Lane Ghent Science Park, Campus A
Technologiepark 46, 9052 Zwijnaarde, Belgium
Office n°023

A1 publications

2019

On the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5, A. Lamaire, J. Wieme, S.M.J. Rogge, M. Waroquier, V. Van Speybroeck, Journal of Chemical Physics, 150 (9), 094503, 2019, IF: 2.843, 13/37 [Q2]

A2 publications

B publications

P1 publications

Keynote / Plenary / Invited talks

Talks

Posters

2018

Nuclear quantum effects in metal-organic frameworks, A. Lamaire, J. Wieme, S.M.J. Rogge, L. De Bruecker, V. Van Speybroeck, Ab initio Modeling in Solid State Chemistry, Torino, Italy, Wed, 05/09/2018
Nuclear quantum effects in metal-organic frameworks, A. Lamaire, J. Wieme, S.M.J. Rogge, L. De Bruecker, V. Van Speybroeck, Path Integral Quantum Mechanics: From the Basics to the Latest Developments, Lausanne, Switzerland, Wed, 27/06/2018
Nuclear quantum effects in metal-organic frameworks, A. Lamaire, J. Wieme, S.M.J. Rogge, L. De Bruecker, V. Van Speybroeck, Solvay New Horizons Lectures in Chemistry, Zwijnaarde, Belgium, Fri, 01/06/2018
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, MolSim 2018, Amsterdam, The Netherlands, Thu, 11/01/2018

2017

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, EUROMOF 2017, Delft, The Netherlands, Mon, 30/10/2017

Dissertations

(D2), Introducing nuclear quantum effects in metal-organic frameworks via a colored-noise thermostat, A. Lamaire, Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, 2017