Conserving the linear momentum in stochastic dynamics: Dissipative particle dynamics as a general strategy to achieve local thermostatization in molecular dynamics simulations
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.24677
Abstract: Stochastic dynamics is a widely employed strategy to achieve local thermostatization in molecular dynamics simulation studies; however, it suffers from an inherent violation of momentum conservation. Although this shortâcoming has little impact on structural and… read more here.
Keywords: achieve local; stochastic dynamics; thermostatization; momentum ... See more keywords
Terpolymerization strategy to achieve high-efficiency organic solar cells via construction of D1-A-D1-D2-type polymer donors.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc04999f
Abstract: Novel terpolymers were developed with ester group incorporation (BDT-2EST). DM1 with 5% BDT-2EST possesses suitable crystallinity and miscibility matching with Y6 acceptor to offer an excellent power conversation efficiency up to 17.21%. Moreover, the intertwined… read more here.
Keywords: strategy achieve; high efficiency; efficiency organic; terpolymerization strategy ... See more keywords