output
20062026
most citedRecent developments in the PySCF program package

1.2k citations

Showing cond-mat.softShow all

9 papers · 1 filter

cond-mat.soft2024★ 3 cited

Dissipative particle dynamics simulation plus slip-springs for entangled polymers with various slip-spring densities

Yuichi Masubuchi, Hong-Xia Guo, Fan Wang +5

Slip-spring models are valuable tools for simulating entangled polymers, bridging the gap between bead-spring models with excluded volume and network models with presumed reptation…

cond-mat.soft2022★ 8 cited

Ballistic Ejection of Microdroplets from Overpacked Interfacial Assemblies

Xuefei Wu, Gautam Bordia, Robert Streubel +11

Spontaneous emulsification, resulting from the assembly and accumulation of surfactants at liquid-liquid interfaces, is an interfacial instability where microdroplets are generated…

cond-mat.soft2020★ 8 cited

Static and Dynamic Properties of Block-Copolymer Based Grafted Nanoparticles Across the Non-Ergodicity Transition

Daniele Parisi, Jose Ruiz-Franco, Yingbo Ruan +3

We present a systematic investigation of static and dynamic properties of block copolymer micelles with crosslinked cores, representing model polymer-grafted nanoparticles, over a…

cond-mat.soft2020★ 8 cited

Static and Dynamic Properties of Block-Copolymer Based Grafted Nanoparticles Across the Non-Ergodicity Transition

Daniele Parisi, José Ruiz-Franco, Yingbo Ruan +4

We present a systematic investigation of static and dynamic properties of block copolymer micelles with crosslinked cores, representing model polymer-grafted nanoparticles, over a…

cond-mat.soft2019★ 42 cited

Enhanced diffusion and enzyme dissociation

Ah-Young Jee, Kuo Chen, Tsvi Tlusty +2

The concept that catalytic enzymes can act as molecular machines transducing chemical activity into motion has conceptual and experimental support, but much of the claimed support…

cond-mat.soft2019★ 638 cited

Printing surface charge as a new paradigm to program droplet transport

Qiangqiang Sun, Dehui Wang, Jiahui Zhang +8

Directed, long-range and self-propelled transport of droplets on solid surfaces, especially on water repellent surfaces, is crucial for many applications from water harvesting to b…