Ahmadreza Rahbari, Thejas Hulikal Chakrapani, Fei Shuang, Panagiotis Krokidas, Parsa Habibi, V. Jelle Lagerweij, Mahinder Ramdin, Thijs J. H. Vlugt, Hadi Hajibeygi, Poulumi Dey, Ioannis N. Tsimpanogiannis, Othonas A. Moultos
embrittlement. When possible, data from multiple sources are compared and critically assessed, while effort is put on evaluating the force fields used and methodological approaches followed in the literature. Finally, this review aims at identifying research gaps and future opportunities, emphasizing emerging approaches, such as molecular simulation in the era of artificial intelligence.