This talk will focus on features and applications of the Monte Carlo for Complex Chemical Systems - Minnesota (MCCCS-MN) software for calculation of phase, adsorption, and aggregation equilibria. In addition, efforts by the Molecular Simulation and Design Framework (MoSDeF) team toward achieving TRUE (transparent, reproducible, usable by others, and extensible) simulations of soft matter systems and challenges for reproducibility with different code stacks will be discussed.

Monte Carlo for complex chemical systems - phase and adsorption equilibria

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.