output
20062026
most citedRecent developments in the PySCF program package

1.2k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2017 · cond-mat.mtrl-sciShow all

5 papers · 2 filters

cond-mat.mtrl-sci2017★ 334 cited

Ultrafast, highly-sensitive infrared photodetectors based on two-dimensional oxyselenide crystals

Jianbo Yin, Zhenjun Tan, Hao Hong +10

Infrared detection and sensing is deeply embedded in modern technology and human society and its development has always been benefitting from the discovery of new photoelectric res…

cond-mat.mtrl-sci2017★ 17 cited

Elastic constants of stressed and unstressed materials in the phase field crystal model

Zi-Le Wang, Zhi-Feng Huang, Zhirong Liu

A general procedure to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the…

cond-mat.mtrl-sci2017★ 48 cited

Super nucleation and orientation of poly (butylene terephthalate) crystals in nanocomposites containing highly reduced graphene oxide

Samuele Colonna, Ricardo A. Pérez, Haiming Chen +5

The ring opening polymerization of cyclic butylene terephthalate into poly (butylene terephthalate) (pCBT) in the presence of reduced graphene oxide (RGO) is an effective method fo…

cond-mat.mtrl-sci2017★ 929 cited

Out-of-plane Piezoelectricity and Ferroelectricity in Layered -In2Se3 Nano-flakes

Yu Zhou, Di Wu, Yihan Zhu +9

Piezoelectric and ferroelectric properties in the two dimensional (2D) limit are highly desired for nanoelectronic, electromechanical, and optoelectronic applications. Here we repo…

cond-mat.mtrl-sci2017★ 298 cited

Metallic vanadium disulfide nanosheets as a platform material for multifunctional electrode applications

Qingqing Ji, Cong Li, Jingli Wang +11

Nano-thick metallic transition metal dichalcogenides such as VS are essential building blocks for constructing next-generation electronic and energy-storage applications, as…