S.M.J. Rogge

A thermodynamic approach to accurately determine pressure profiles for MOFs to assess their flexibility and loss of crystallinity

S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, A. Ghysels, M. Waroquier, T. Verstraelen, G. Maurin, V. Van Speybroeck
ISBN/ISSN:
Poster

Conference / event / venue 

Theory and Applications of Computational Chemistry 2016
Seattle, WA, USA
Wednesday, 31 August, 2016

Investigating the heat capacity of metal-organic frameworks via path integral molecular dynamics simulations

J. Wieme, L. Vanduyfhuys, S.M.J. Rogge, S. Vandenbrande, V. Van Speybroeck
ISBN/ISSN:
Poster

Conference / event / venue 

CECAM/Psi-k school on Path Integral Quantum Mechanics: Theory, Simulation and Application
Lausanne, Switzerland
Monday, 13 June, 2016 to Friday, 17 June, 2016

Pages

Subscribe to RSS - S.M.J. Rogge