Collective Variables for Crystallization Simulations—from Early Developments to Recent Advances

por Neha, Tiwari, Vikas, Mondal, Soumya, Kumari, Nisha, Karmakar, Tarak
Publicado 2022

Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations

por Karmakar, Tarak, Finney, Aaron R., Salvalaglio, Matteo, Yazaydin, A. Ozgur, Perego, Claudio
Publicado 2023

Solubility of Organic Salts in Solvent–Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach

por Bjelobrk, Zoran, Rajagopalan, Ashwin Kumar, Mendels, Dan, Karmakar, Tarak, Parrinello, Michele, Mazzotti, Marco
Publicado 2022