POSTER SESSION, section 4: Frontiers of MOF simulations towards longer length and time scales

A

Roberto Amabile | Supercolors. Perspective of Two-Step Supercell Net Coloring in Framework Structure Prediction | 085

C

Maarten Cools-Ceuppens | Comparing Different Machine Learning Force Fields: A Case Study of Aluminium | 086

D

Johannnes P. Dürholt | Recent Advances in Force Field Generation for Accurate Multiscale Modeling | 087

E

Turan Erkal | Modelling Enantiomer Separation in Chiral Metal Organic Frameworks | 088

F

Douglas Franz | MCMD (Monte Carlo/Molecular Dynamics): Software for Simulation of Flexible Porous Materials Using Next-Generation Force-Fields | 089

O

Aydin Ozcan | Modelling “Misfits”: Simulating Gas Transport across MOF Interfaces Assembled with Free Energy Calculations | 090

P

Giovanni Pireddu | Spatial Coarse-Graining of Adsorption Phenomena: The Interacting Pair Approximation | 091

dr. Yohanes Pramudya | High-Throughput Screening of Metal Organic Frameworks for Gas Separation | 092

R

dr. Sven Rogge | Unraveling the Thermodynamic Criteria for Size-Dependent Spontaneous Phase Separation in Soft Porous Crystals | 093

T

Benjamin Tam | Direct Simulation of Water Intrusion in ZIF-8 | 094

V

prof. dr. Titus van Erp | Rare Event Simulations to Study Pathways of Metal-Organic Framework Nucleation | 095