MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films
Published in JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020
Recommended citation: Summers, Andrew Z. Gilmer, Justin B. Iacovella, Christopher R. Cummings, Peter T. McCabe, Clare (2020). "MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films ." JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 16 (3).
Summers, Andrew Z. Gilmer, Justin B. Iacovella, Christopher R. Cummings, Peter T. McCabe, Clare (2020). “MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films .” JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 16 (3), pp 1779-1793 .
Funding source: National Science Foundation (NSF) [ACI-1047827, OAC-1835874, OAC-1535150]