Yang, Weitao

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B

Advanced Chemical Physics StudiesAtomic and Molecular Physics

Cited by 100,874

Insights into Current Limitations of Density Functional Theory

Cohen, A. J., Mori-Sánchez, P., & Yang, W. (2008) · Science

Advanced Chemical Physics StudiesMachine Learning in Materials Science

Cited by 2,527

All The Catalytic Active Sites of MoS 2 for Hydrogen Evolution

Li, G., Zhang, D., Qiao, Q., Yu, Y., Peterson, D., Zafar, A., Kumar, R., Curtarolo, S., Hunte, F., Shannon, S., et al. (2016) · Journal of the American Chemical Society

Electrocatalysts for Energy Conversion2D Materials and Applications

Cited by 829

Layer-Dependent Electrocatalysis of MoS2 for Hydrogen Evolution

Yu, Y., Huang, S.-Y., Li, Y., Steinmann, S. N., Yang, W., & Cao, L. (2014) · Nano Letters

Electrocatalysts for Energy Conversion2D Materials and Applications

Cited by 740

Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds

Virshup, A. M., Contreras-García, J., Wipf, P., Yang, W., & Beratan, D. N. (2013) · Journal of the American Chemical Society

Computational Drug Discovery MethodsChemical Synthesis and Analysis

Cited by 294

Engineering Substrate Interaction To Improve Hydrogen Evolution Catalysis of Monolayer MoS2 Films beyond Pt

Li, G., Chen, Z., Li, Y., Zhang, D., Yang, W., Liu, Y., & Cao, L. (2020) · ACS Nano

Electrocatalysts for Energy Conversion2D Materials and Applications

Cited by 147