2.7k citations · 3.7k across the 17 of their papers we have counts for
17 papers
Unlocking the Structural Mystery of Vaterite CaCO3
Xingyuan San, Junwei Hu, Mingyi Chen +7
Calcium carbonate (CaCO3), the most abundant biogenic mineral on earth, plays a crucial role in various fields. Of the four polymorphs, calcite, aragonite, vaterite, and amorphous…
Ab initio investigation of the crystallization mechanism of cadmium selenide
Linshuang Zhang, Manyi Yang, Shiwei Zhang +1
Cadmium selenide (CdSe) is an inorganic semiconductor with unique optical and electronic properties that made it useful in various applications, including solar cells, light-emitti…
Hardness and fracture toughness models by symbolic regression
Jinbin Zhao, Peitao Liu, Jiantao Wang +5
Superhard materials with good fracture toughness have found wide industrial applications, which necessitates the development of accurate hardness and fracture toughness models for…
Imperfectly coordinated water molecules pave the way for homogeneous ice nucleation
Mingyi Chen, Lin Tan, Han Wang +2
Water freezing is ubiquitous on Earth, affecting many areas from biology to climate science and aviation technology. Probing the atomic structure in the homogeneous ice nucleation…
Homogeneous nucleation of ice
Haiyang Niu, Yi Isaac Yang, Michele Parrinello
Ice nucleation is a process of great relevance in physics, chemistry, technology and environmental sciences, much theoretical and experimental efforts have been devoted to its unde…
Finding Efficient Collective Variables: The Case of Crystallization
Yue-Yu Zhang, Haiyang Niu, GiovanniMaria Piccini +2
Several enhanced sampling methods such as umbrella sampling or metadynamics rely on the identification of an appropriate set of collective variables. Recently two methods have been…