Silvia Amabilino

发表

Adaptively Accelerating Reactive Molecular Dynamics Using Boxed Molecular Dynamics in Energy Space.

Michael B. O'Connor, R. Shannon, Silvia Amabilino, 2018, Journal of chemical theory and computation.

Metal-organic frameworks from divalent metals and 1,4-benzenedicarboxylate with bidentate pyridine-N-oxide co-ligands

Matthew J. Lennox, G. Clarkson, P. Llewellyn, 2015 .

DFT Analysis of Spin Crossover in Mn(III) Complexes: Is a Two-Electron S = 2 to S = 0 Spin Transition Feasible?

Silvia Amabilino, R. Deeth, 2017, Inorganic chemistry.

Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines

Silvia Amabilino, V. Pimienta, P. Lacroix, 2017 .

Precise insertion of clickable monomer along polymer backbone by dynamic temperature controlled radical polymerization

C. R. Becer, Benjamin M. Gridley, Furkan H. Isikgor, 2015 .

Guidelines for RNN Transfer Learning Based Molecular Generation of Focussed Libraries.

Silvia Amabilino, Stephen D Pickett, Peter Pogany, 2020, Journal of chemical information and modeling.

Training atomic neural networks using fragment-based data generated in virtual reality.

David R. Glowacki, Silvia Amabilino, Lars A. Bratholm, 2020, The Journal of chemical physics.

Training neural nets to learn reactive potential energy surfaces using interactive quantum chemistry in virtual reality

David R. Glowacki, Markus Reiher, Silvia Amabilino, 2019, The journal of physical chemistry. A.

Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries

Silvia Amabilino, Peter Pogány, Stephen D. Pickett, 2020, J. Chem. Inf. Model..

Further studies on the photoreactivities of ruthenium–nitrosyl complexes with terpyridyl ligands

Silvia Amabilino, A. Sournia-Saquet, P. Lacroix, 2019, New Journal of Chemistry.