Shixian Liu
Software

NEP-kappa Papers

Software and method papers

  1. Shixian Liu, Bin Liu, Fei Yin, Gang Wang, Yiming Dong, Yangjun Qin, Alexandra V. Kosyakova, Qiang Xian, Alexander A. Barinov, Ke Xu, Gang Zhang. NEP-kappa 2.0: A unified framework for phonon transport and nonequilibrium thermalization with machine-learning interatomic potentials. arXiv preprint (2026). https://doi.org/10.48550/arXiv.2610.25477
  2. Fei Yin, Shixian Liu, Yiming Dong, A.A. Barinov, Ke Xu, V.I. Khvesyuk. Accelerated phonon transport calculations for nanostructures: Combining neuroevolution potentials and compressed sensing. Journal of Applied Physics 139, 135103 (2026). https://doi.org/10.1063/5.0324012

Research using NEP-kappa

  1. Jinrong Huo, Xiaojian Sun, Juan Ren, Haixia Cheng, Chaozheng He, Chunlin Ji. Separation of the Dual Mechanisms Governing the Thermal Conductivity of GaAs and GaN Isotopes. SSRN preprint , (2026). https://doi.org/10.2139/ssrn.7416947
  2. Chenyang Cao, Yifei Ning, Yongbo Shi, Yu Bao, Hongfei Li, Panpan Gao, Shuo Cao, Ping Qian. Effects of point defects and tensile strain on the lattice thermal conductivity of θ-TaN: A machine-learned molecular dynamics study. Physical Review B 114, 204304 (2026). https://doi.org/10.1103/pqy5-87gr
  3. Fei Yin, Gang Wang, Alexander A. Barinov, Shixian Liu, Ke Xu. Cove-edge-induced vibrational confinement and weakened collective phonon transport in graphene nanoribbons. International Journal of Thermal Sciences 233, 111381 (2027). https://doi.org/10.1016/j.ijthermalsci.2026.111381