TY - JOUR U1 - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed) A1 - Hülsmann, Marco A1 - Vrabec, Jadran A1 - Maaß, Astrid A1 - Reith, Dirk T1 - Assessment of numerical optimization algorithms for the development of molecular models JF - Computer Physics Communications KW - Gradient-based algorithms KW - Numerical optimization KW - Molecular models KW - Vapor–liquid equilibrium KW - Lennard-Jones potential SN - 0010-4655 SS - 0010-4655 U6 - https://doi.org/10.1016/j.cpc.2010.01.001 DO - https://doi.org/10.1016/j.cpc.2010.01.001 VL - 181 IS - 5 SP - 887 EP - 905 PB - Elsevier ER -