Journal Article

Caccin, Marco, Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2016) A framework for machine-learning-augmented multiscale atomistic simulations on parallel supercomputers. International Journal of Quantum Chemistry, 115 (16). pp. 1129-1139. doi:10.1002/qua.24952

Kermode, James R., Gleizer, Anna, Kovel, Guy, Pastewka, Lars, Csanyi, Gabor, Sherman, Dov and De Vita, Alessandro (2015) Low speed crack propagation via kink formation and advance on the silicon (110) cleavage plane. Physical Review Letters, 115 (13). pp. 1-5. 135501. doi:10.1103/PhysRevLett.115.135501

Li, Zhenwei, Kermode, James R. and De Vita, Alessandro (2015) Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces. Physical Review Letters, Volume 114 . Article number 096405. doi:10.1103/PhysRevLett.114.096405

Peguiron, Anke, Ciacchi, Lucio Colombi, De Vita, Alessandro, Kermode, James R. and Moras, Gianpietro (2015) Accuracy of buffered-force QM/MM simulations of silica. Journal of chemical physics, Volume 142 . Article number 064116. doi:10.1063/1.4907786

Gleizer, Anna, Peralta, Giovanni, Kermode, James R., De Vita, Alessandro and Sherman, Dov (2014) Dissociative chemisorption of O2 inducing stress corrosion cracking in silicon crystals. Physical Review Letters, Volume 112 (Number 11). Article number 115501. doi:10.1103/PhysRevLett.112.115501