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cond-mat.soft2022
Collective Variables for Crystallization Simulations -- from Early Developments to Recent Advances
Neha, Vikas Tiwari, Soumya Mondal +2
Crystallization is one of the most important physicochemical processes which has relevance in material science, biology, and the environment. Decades of experimental and theoretica…
cond-mat.soft2022
Solubility of organic salts in solvent-antisolvent mixtures: A combined experimental and molecular dynamics simulations approach
Zoran Bjelobrk, Ashwin Kumar Rajagopalan, Dan Mendels +3
We combine molecular dynamics simulations with experiments to estimate solubilities of organic salts in complex growth environments. We predict the solubility by simulations of the…