Publications

Polymerist has been developed around concepts introduced in our manuscripts, viz.:

• “Robust, transferrable, and automatable techniques for systematic in silico polymerization” (Timotej Bernat, Jeffrey N. Law, Daria Lazarenko, Brandon C. Knott, and Michael R. Shirts, 2026)

• “Parameterization of general organic polymers within the Open Force Field Framework” (Connor M. Davel, Timotej Bernat, Jeffrey R. Wagner, and Michael R. Shirts, 2024)