Publications

List of publications in which nap was used. Let us know if you want to add your publications in which nap was used.

• Kobayashi, R., Nakano, K. & Nakayama, M. Non-equilibrium molecular dynamics study on atomistic origin of grain boundary resistivity in NASICON-type Li-ion conductor. Acta Mater. 226, 117596 (2022)
• Nakano, K. et al. Molecular Dynamics Simulation of Li-Ion Conduction at Grain Boundaries in NASICON-Type LiZr2(PO4)3 Solid Electrolytes. J. Phys. Chem. C 125, 23604–23612 (2021)
• Yang, Z. et al. Exploring the diffusion mechanism of Li ions in different modulated arrangements of La(1-X)/3LixNbO3 with fitted force fields obtained via a metaheuristic algorithm. Solid State Ionics 366-367, 115662 (2021)
• Kobayashi, R. nap: A molecular dynamics package with parameter-optimization programs for classical and machine-learning potentials. J. Open Source Softw. 6, 2768 (2021)
• Kobayashi, R., Miyaji, Y., Nakano, K. & Nakayama, M., High-throughput production of force-fields for solid-state electrolyte materials. APL Materials 8, 081111 (2020)
• Nakano, K. et al. Exhaustive and informatics-aided search for fast Li-ion conductor with NASICON-type structure using material simulation and Bayesian optimization Exhaustive and informatics-aided search for fast Li-ion conductor with NASICON-type structure using material. APL Materials 041112, 041112 (2020)
• Kobayashi, R., Giofré, D., Junge, T., Ceriotti, M. & Curtin, W. A. Neural network potential for Al-Mg-Si alloys. Physical Review Materials 1, 53604--53611 (2017)
• Kobayashi, R., Hattori, T., Tamura, T. & Ogata, S. A molecular dynamics study on bubble growth in tungsten under helium irradiation. J. Nucl. Mater. 463, 1071--1074 (2015)
• Kobayashi, R., Ohba, N., Tamura, T. & Ogata, S. A Monte Carlo study of host-material deformation effect on Li migration in graphite. J. Phys. Soc. Jpn. 82, (2013)
• Kobayashi, R., Nakamura, T. & Ogata, S. A Coupled Molecular Dynamics/Coarse-Grained-Particle Method for Dynamic Simulation of Crack Growth at Finite Temperatures. Mater. Trans. 52, 1603--1610 (2011)