Using Monte Carlo to simulate complex polymer systems: Recent progress and outlook
VG Mavrantzas - Frontiers in Physics, 2021 - frontiersin.org
Metropolis Monte Carlo has been employed with remarkable success over the years to
simulate the dense phases of polymer systems. Owing, in particular, to the freedom it …
simulate the dense phases of polymer systems. Owing, in particular, to the freedom it …
Molecular simulations of interfacial systems: challenges, applications and future perspectives
M Lbadaoui-Darvas, G Garberoglio… - Molecular …, 2023 - Taylor & Francis
We present a comprehensive review of methods and applications of molecular simulations
of interfacial systems. We give a detailed overview of the main techniques and major …
of interfacial systems. We give a detailed overview of the main techniques and major …
Decoding liquid crystal oligomer phase transitions: Toward molecularly engineered shape changing materials
Y Guo, J Lee, J Son, S Ahn, JMY Carrillo… - …, 2019 - ACS Publications
This work details an integrated investigation of liquid crystal (LC) oligomers that combines
experiments and molecular dynamics simulations to obtain a detailed understanding of the …
experiments and molecular dynamics simulations to obtain a detailed understanding of the …
Chameleon: A generalized, connectivity altering software for tackling properties of realistic polymer systems
O Alexiadis, N Cheimarios… - Wiley …, 2019 - Wiley Online Library
Chameleon, a generalized Monte Carlo software for the phase space analysis of complex,
realistic polymer systems is presented. Chameleon implements the so‐called connectivity …
realistic polymer systems is presented. Chameleon implements the so‐called connectivity …
Molecular dynamics simulation of α-unsubstituted oligo-thiophenes: dependence of their high-temperature liquid-crystalline phase behaviour on molecular length
FD Tsourtou, SD Peroukidis… - Journal of Materials …, 2019 - pubs.rsc.org
Despite that α-unsubstituted oligo-thiophenes (α-nTs) have been synthesized a long time
ago and studied for many years, their phase behavior (which governs electronic …
ago and studied for many years, their phase behavior (which governs electronic …
DETAILLED PROGRAM OVERVIEW
V Mavrantzas - flogen.org
Soft microstructured materials is the class of materials where computer simulations have
enjoyed the most rapid advances in the last two decades due to the development of several …
enjoyed the most rapid advances in the last two decades due to the development of several …
Multiscale Modeling and Simulation of the Viscoelasticity of Complex, Microstructured Fluids Guided from Nonequilibrium Thermodynamics
V Mavrantzas, P Stephanou - 2019-Sustainable Industrial Processing …, 2019 - flogen.org
Soft microstructured materials is the class of materials where computer simulations have
enjoyed the most rapid advances in the last two decades due to the development of several …
enjoyed the most rapid advances in the last two decades due to the development of several …