3 papers
cs.LG2026
Asymmetric Focal Loss Improves Graph Neural Network Prediction of Drug-Drug Interactions
Faranak Hatami, Mousa Moradi
Background: Graph neural networks improve computational prediction of polypharmacy side effects, but standard binary cross-entropy training allocates equal capacity to well-classif…
physics.chem-ph2026
Molecular Dynamics Force Field Genetic Optimization for Tri-n-butyl Phosphate Liquid
Faranak Hatami, Valmor F. de Almeida
An iterative optimization algorithm with MD simulations in the loop is developed and applied to optimize Lennard-Jones (LJ) parameters specific for liquid tri-n-butyl phosphate (TB…
physics.comp-ph2024
Energy Spectrum of Primary Knock-on Atoms and Atomic Displacement Calculations in Metallic Alloys Under Neutron Irradiation
Faranak Hatami
Materials subjected to neutron irradiation experience damage due to displacement cascades triggered by nuclear reactions. This paper presents a practical method to calculate primar…