Area of research
Materials Chemistry · Condensed Matter Physics
Research interest
Research interests include Material Dynamics and Properties, Block Copolymer Self-Assembly, Theoretical and Computational Physics, and Ionic liquids properties and applications.
Constructing many-body dissipative particle dynamics models of fluids from bottom-up coarse-graining
A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). I. General theory and model
A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperature
Coarse-graining involving virtual sites: Centers of symmetry coarse-graining
Molecular transport through membranes: Accurate permeability coefficients from multidimensional potentials of mean force and local diffusion constants
Mesoscopic coarse-grained representations of fluids rigorously derived from atomistic models
Ultra-Coarse-Grained Liquid State Models with Implicit Hydrogen Bonding