You can find my publications on GoogleScholar | Web of Science | ORCID.

Note: † denotes corresponding author, and * denotes co-first author (meaning contributed equally to the work).

After Joining NJUST

  1. Semilocal Kinetic Energy Density Functionals on Atoms and Diatoms, Tingwei Wang, Kai Luo†, and Ruifeng Lu, Journal of Chemical Theory and Computation 20 (12), 5176-5187 (2024) [bibtex] [PDF]

  2. Orbital-free density functional theory: An attractive electronic structure method for large-scale first-principles simulations, Wenhui Mi†, Kai Luo†, SB Trickey†, Michele Pavanello †, Chemical Reviews 123 (21), 12039-12104 (2023) [bibtex] [PDF]

  3. First-principles thermal equation of state of fcc iridium, Kai Luo†, Ruifeng Lu, RE Cohen, Physical Review B 107, 014106 (2023) [bibtex] [PDF]

  4. Giant bipolar unidirectional photomagnetoresistance, Yucheng Jiang*†, Anpeng He*, Kai Luo*, Jinlei Zhang, Guozhen Liu, Run Zhao, Qing Zhang, Zhuo Wang, Chen Zhao, Lin Wang, Yaping Qi, Ju Gao, Kian Ping Loh, Andrew TS Wee, Cheng-Wei Qiu †, Proceedings of the National Academy of Sciences 119 (27) e2115939119 (2023) [bibtex] [PDF]

  5. Ultrahigh-pressure disordered eight-coordinated phase of Mg2GeO4: Analogue for super-Earth mantles, Rajkrishna Dutta†, Sally June Tracy, Ronald E Cohen, Francesca Miozzi, Kai Luo, Jing Yang, Pamela C Burnley, Dean Smith, Yue Meng, Stella Chariton, Vitali B Prakapenka, Thomas S Duffy, Proceedings of the National Academy of Sciences 119(8), e2114424119. (2022) [bibtex] [PDF]

  6. Thermal conductivity of Fe-Si alloys and thermal stratification in Earth’s core, Youjun Zhang*, Kai Luo *, Mingqiang Hou*, Peter Driscoll, Nilesh P Salke, Ján Minár, Vitali B Prakapenka, Eran Greenberg, Russell J Hemley†, RE Cohen†, Jung-Fu Lin † Proceedings of the National Academy of Sciences 119(1), e2119001119 (2022) [bibtex] [PDF]

Before Joining NJUST

  1. Local pressure for inhomogeneous fluids, James Dufty†, Jeffrey Wrighton, Kai Luo AIChE Journal 67 (10), e17323 (2021) [bibtex] [PDF]

  2. Two-temperature warm dense hydrogen as a test of quantum protons driven by orbital-free density functional theory electronic forces, Dongdong Kang†, Kai Luo, Keith Runge, Samuel B Trickey Matter and Radiation at Extremes 5 (6), 064403 (2020) [bibtex] [PDF]

  3. Generalized hydrodynamics revisited, James Dufty, Kai Luo†, Jeffrey Wrighton Physical Review Research 2 (2), 023036 (2020) [bibtex] [PDF] [Supp. PDF]

  4. Towards accurate orbital-free simulations: A generalized gradient approximation for the noninteracting free energy density functional, Kai Luo†, Valentin V. Karasiev†, and Samuel B. Trickey† Physical Review B 101 (7), 075116 (2020) [bibtex] [PDF] [Supp. PDF]

  5. A simple generalized gradient approximation for the noninteracting kinetic energy density functional, Kai Luo†, Valentin V. Karasiev†, and Samuel B. Trickey† Physical Review B 98, 041111(R) (2018) [bibtex] [PDF] [Supp. PDF]

  6. Density response from kinetic theory and time-dependent density-functional theory for matter under extreme conditions, James Dufty, Kai Luo†, and S. B. Trickey Physical Review E 98, 033203 (2018) [bibtex] [PDF]

  7. Trivial constraints on orbital-free kinetic energy density functionals Kai Luo†, S. B. Trickey † Chemical Physics Letters 695, 190-193 (2018) [bibtex] [PDF]