Vahideh's research focuses on molecular-level studies of interactions and reactions in deep eutectic solvents and ionic liquids by applying multiresolution computational methods such as ab initio molecular dynamics (AIMD), classical MD, and quantum chemistry methods. She is interested in method developments such as the Hybrid Monte Carlo method (HMC). She is also one of Travis software developers. In her M.Sc., she investigated the electronic structure of lanthanide complexes and noncovalent interactions in organic compounds under the supervision of Prof. Mehdi D. Esrafili in Iran.