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Journal of Chemical Information and Modeling|November 20, 2019
Framework for Inverse Mapping Chemistry-Agnostic Coarse-Grained Simulation Models into Chemistry-Specific ModelsChristian Nowak, Mayank Misra, Fernando A EscobedoJournal of Chemical Theory and Computation|September 15, 2018
Stability of the Gyroid Phase in Rod-Coil Systems via Thermodynamic Integration with Molecular DynamicsChristian Nowak, Fernando A EscobedoSoft Matter|November 3, 2017
Molecular dynamics simulation of thermotropic bolaamphiphiles with a swallow-tail lateral chain: formation of cubic network phasesYangyang Sun, Poornima Padmanabhan, Mayank Misra, et al.ACS Macro Letters|June 1, 2022
Thermal Stability of π-Conjugated <i>n</i>-Ethylene-Glycol-Terminated Quaterthiophene Oligomers: A Computational and Experimental StudyMayank Misra, Ziwei Liu, Ban Xuan Dong, et al.The Journal of Chemical Physics|September 23, 2021
On the calculation of free energies over Hamiltonian and order parameters via perturbation and thermodynamic integrationFernando A EscobedoThe Journal of Chemical Physics|November 13, 2007
Optimized expanded ensembles for simulations involving molecular insertions and deletions. II. Open systemsFernando A EscobedoThe Journal of Chemical Physics|March 11, 2014
Mapping coexistence lines via free-energy extrapolation: application to order-disorder phase transitions of hard-core mixturesFernando A EscobedoThe Journal of Chemical Physics|April 10, 2017
Optimizing the formation of solid solutions with components of different shapesFernando A EscobedoThe Journal of Chemical Physics|August 13, 2005
A unified methodological framework for the simulation of nonisothermal ensemblesFernando A EscobedoSoft Matter|August 29, 2014
Engineering entropy in soft matter: the bad, the ugly and the goodFernando A EscobedoPageof 10