Lab Key visual

Welcome to the “Laboratory of Molecular Simulation” , situated in the “Green Chemistry Wallis Campus”, Sion, building Industrie17.   The Laboratory is  directed by Prof. Berend Smit.



T. N. Nguyen; F. M. Ebrahim; K. C. Stylianou : Photoluminescent, upconversion luminescent and nonlinear optical metal-organic frameworks: From fundamental photophysics to potential applications; Coordination Chemistry Reviews. 2018-12-15. DOI : 10.1016/j.ccr.2018.08.024.
M. Witman; N. A. Mahynski; B. Smit : Flat-Histogram Monte Carlo as an Efficient Tool To Evaluate Adsorption Processes Involving Rigid and Deformable Molecules; Journal Of Chemical Theory And Computation. 2018-12-01. DOI : 10.1021/acs.jctc.8b00534.
A. Gladysiak; K. S. Deeg; I. Doygaliuk; A. Chidambaram; K. Ordiz et al. : Biporous Metal-Organic Framework with Tunable CO2/CH4 Separation Performance Facilitated by Intrinsic Flexibility; Acs Applied Materials & Interfaces. 2018-10-24. DOI : 10.1021/acsami.8b13362.
S. Kampouri; T. N. Nguyen; C. P. Ireland; B. Valizadeh; F. M. Ebrahim et al. : Photocatalytic hydrogen generation from a visible-light responsive metal–organic framework system: the impact of nickel phosphide nanoparticles; Journal of Materials Chemistry. 2018-10-18. DOI : 10.1039/C7TA10225A.
E. Braun; S. M. Moosavi; B. Smit : Anomalous Effects of Velocity Rescaling Algorithms: The Flying Ice Cube Effect Revisited; Journal Of Chemical Theory And Computation. 2018-10-01. DOI : 10.1021/acs.jctc.8b00446.