The Atomistic Simulations research line has been recently opened among Istituto Italiano di Tecnologia. For more information, please, contact the Principal Investigator Michele Parrinello
Atomistic Simulations
Last Publications
2022
Yang M., Bonati L., Polino D., Parrinello M.
Using metadynamics to build neural network potentials for reactive events: the case of urea decomposition in water
Catalysis Today, vol. 387, pp. 143-149
2021
Ahlawat P., Hinderhofer A., Alharbi E.A., Lu H., Ummadisingu A., Niu H., Invernizzi M., Zakeeruddin S.M., Dar M.I., Schreiber F., Hagfeldt A., Gratzel M., Rothlisberger U., Parrinello M.
A combined molecular dynamics and experimental study oftwo-step process enabling low-Temperature formation of phase-pure α-FAPbI3
Science advances, vol. 7, (no. 17)
2021
Mandelli D., Parrinello M.
A modified nudged elastic band algorithm with adaptive spring lengths
Journal of Chemical Physics, vol. 155, (no. 7)
Principal Investigator
Michele Parrinello
Atomistic Simulations
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