Papers (2020)

1. Yang X., Sa B., Lin P., Xu C., Zhu Q., Zhan H., Sun Z. (2020). Tunable Contacts in Graphene/InSe van der Waals Heterostructures J. Phys. Chem. C 2020, 124, 43, 23699–23706

2. Yanxon H., Zagaceta D., Tang B., Matteson D., Zhu Q. (2020). PyXtal FF: a Python Library for Automated Force Field Generation. Mach. Learn.: Sci. Technol. 2, 027001 (arXiv: PDF)

3. Yanxon H., Zagaceta D., Wood B.C., Zhu Q. (2020). Neural Networks Potential from the Bispectrum Component: A Case Study on Crystalline Silicon. J. Chem. Phys. 153, 054118 (arXiv: PDF)

4. Zagaceta D., Yanxon H., Zhu Q. (2020). Spectral Neural Network Potentials for Binary Alloys. J. Appl. Phys., 128, 045113. (arXiv: PDF)

5. Zhu S-C, Yan X-Z, Liu J., Oganov A.R., Zhu Q. (2020). A Revisited Mechanism of the Graphite-to-Diamond Transition at High Temperature. Matter 3, 1–15. (PDF)

6. Qu J-Y, Zagaceta D., Zhang W-W, Zhu Q. (2020). High dielectric ternary oxides from crystal structure prediction and high-throughput screening. Sci. Data, 7, 81. (Open Access: PDF)