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2020 – today
- 2024
[j6]Adam M. Krajewski, Arindam Debnath, Wesley F. Reinhart, Allison M. Beese, Zi-Kui Liu:
nimCSO: A Nim package for Compositional Space Optimization. J. Open Source Softw. 9(103): 6731 (2024)- 2023
- [i1]Arindam Debnath, Lavanya Raman, Wenjie Li, Adam M. Krajewski, Marcia Ahn, Shuang Lin, Shun-Li Shang, Allison M. Beese, Zi-Kui Liu, Wesley F. Reinhart:
Comparing Forward and Inverse Design Paradigms: A Case Study on Refractory High-Entropy Alloys. CoRR abs/2307.13581 (2023) - 2022
- [j5]Mingqing Liao
, Yong Liu, Fei Zhou, Tianyi Han, Danni Yang, Nan Qu, Zhonghong Lai, Zi-Kui Liu, Jingchuan Zhu:
A high-efficient strain-stress method for calculating higher-order elastic constants from first-principles. Comput. Phys. Commun. 280: 108478 (2022) - 2021
- [j4]Mingqing Liao, Yong Liu, Shun-Li Shang, Fei Zhou, Nan Qu, Yichuan Chen, Zhonghong Lai, Zi-Kui Liu, Jingchuan Zhu:
Elastic3rd: A tool for calculating third-order elastic constants from first-principles calculations. Comput. Phys. Commun. 261: 107777 (2021)
2010 – 2019
- 2015
- [j3]Yi Wang, William Yi Wang, Long-Qing Chen, Zi-Kui Liu:
Bonding charge density from atomic perturbations. J. Comput. Chem. 36(13): 1008-1014 (2015) - 2014
- [j2]Yi Wang, Long-Qing Chen, Zi-Kui Liu:
YPHON: A package for calculating phonons of polar materials. Comput. Phys. Commun. 185(11): 2950-2968 (2014)
2000 – 2009
- 2006
- [j1]Weiming Feng, Peng Yu, Shenyang Hu, Zi-Kui Liu, Qiang Du, Long-Qing Chen:
Spectral implementation of an adaptive moving mesh method for phase-field equations. J. Comput. Phys. 220(1): 498-510 (2006) - 2004
- [c1]Keita Teranishi, Padma Raghavan, Zi-Kui Liu:
Towards a Grid enabled system for multicomponent materials design. CCGRID 2004: 664-669
Coauthor Index
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