3 papers
cond-mat.mtrl-sci2026
Trillion-atom molecular dynamics simulations with ab initio accuracy
Pengfei Suo, Wudi Cao, Xingxing Wu +14
Material properties are fundamentally dictated by multiscale phenomena, which often reach mesoscale in size. The μm mesoscale is also the size which can be observed directly under…
cond-mat.soft2024
Quantifying the Critical Micelle Concentration of Nonionic and Ionic Surfactants by Self-Consistent Field Theory
Chao Duan, Mu Wang, Ahmad Ghobadi +2
Quantifying the critical micelle concentration (CMC) and understanding its relationship with both the intrinsic molecular structures and environmental conditions are crucial for th…
cond-mat.soft2024
Microphase Segregation in Polyelectrolyte Brushes
Takashi Yokokura, Chao Duan, Rui Wang
Polyelectrolyte (PE) brushes have ubiquitous applications as surface modifiers which regulate various structural and dynamic properties. Here, we apply a continuous-space self-cons…