Page 44 - IJAMD-2-1

International Journal of AI for
Materials and Design
ML molecular modeling of Ru: A KAN approach

using molecular dynamics simulations. RSC Adv. Conf Ser. 2018;1136:012014.
2021;11(40):24594-24606.
58. Piana S, Lindorff-Larsen K, Dirks RM, Salmon JK, Dror RO,
doi: 10.1039/D1RA02033A Shaw DE. Evaluating the effects of cutoffs and treatment
55. Lu ZP, Zhu WJ, Lu TC, et al. Structural phase transition of of long-range electrostatics in protein folding simulations.
Ru at high pressure and temperature. Wuli Xuebao Acta Phys PLoS One. 2012;7(6):e39918.
Sin. 2013;62(17):176402.
doi: 10.1371/journal.pone.0039918
doi: 10.7498/aps.62.176402
59. Hoyt JJ, Trautt ZT, Upmanyu M. Fluctuations in molecular
56. Savitskii EM. Noble Metals: A Handbook; Izdatel’stvo
Metallurgiia. Moscow: USSR; 1984. dynamics simulations. Multiscale Model Mov Interfaces
Mater. 2010;80(7):1382-1392.
57. Dammak H, Hayoun M, Brieuc F, Geneste G. Nuclear
quantum effects in molecular dynamics simulations. J Phys doi: 10.1016/j.matcom.2009.03.012

Volume 2 Issue 1 (2025) 38 doi: 10.36922/ijamd.8291