Publications
Showing entries 41 - 60 out of 62
2021
Minkowski M, Hummer K, Dellago C. Cation interstitial diffusion in lead telluride and cadmium telluride studied by means of neural network potential based molecular dynamics simulations. Journal of Physics: Condensed Matter. 2021 Jan 6;33(1):015901. doi: 10.1088/1361-648X/abb740
Marinelli C, Scarpa L, Stefanelli U. An alternative proof of well-posedness of stochastic evolution equations in the variational setting. Revue Roumaine de Mathematiques Pures et Appliquees. 2021;66(1):209-209.
Scarpa L, Stefanelli U. Stochastic PDEs via convex minimization. Communications in Partial Differential Equations. 2021;46(1):66-97. doi: 10.1080/03605302.2020.1831017
Scarpa L, Stefanelli U. THE ENERGY-DISSIPATION PRINCIPLE FOR STOCHASTIC PARABOLIC EQUATIONS. Advances in Mathematical Sciences and Applications. 2021;30(2):429-452.
2020
Kaufman B, Rozgonyi T, Marquetand P, Weinacht T. Adiabatic elimination in strong-field light-matter coupling. Physical Review A. 2020 Dec 23;102(6):063117. doi: 10.1103/PhysRevA.102.063117
Avagliano D, Tkaczyk S, Sanchez-Murcia PA, Gonzalez L. Enhanced Rigidity Changes Ultraviolet Absorption: Effect of a Merocyanine Binder on G-Quadruplex Photophysics. Journal of Physical Chemistry Letters. 2020 Dec 3;11(23):10212-10218. doi: 10.1021/acs.jpclett.0c03070
Grandi D, Kružík M, Mainini E, Stefanelli U. Equilibrium for Multiphase Solids with Eulerian Interfaces. Journal of Elasticity. 2020 Dec;142(2):409-431. doi: 10.1007/s10659-020-09800-w
Bachmair B, Hernández Castillo D, Schwiedrzik L, Singer NK, Avagliano D. AG González präsentiert: Theoretische Chemie an der Uni Wien (Video) Wien: . 2020.
Liu Y, Rozgonyi T, Marquetand P, Weinacht T. Excited-state dynamics of CH2I2 and CH2IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy. Journal of Chemical Physics. 2020 Nov 14;153(18):184304. doi: 10.1063/5.0026177
Friedrich M, Stefanelli U. Ripples in Graphene: A Variational Approach. Communications in Mathematical Physics. 2020 Nov 1;379(3):915-954. doi: 10.1007/s00220-020-03869-z
Westermayr J, Marquetand P. Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space. Journal of Chemical Physics. 2020 Oct 21;153(15):154112. doi: 10.1063/5.0021915
Zobel JP, Bokareva OS, Zimmer P, Woelper C, Bauer M, Gonzalez L. Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer. Inorganic Chemistry. 2020 Oct 19;59(20):14666-14678. doi: 10.1021/acs.inorgchem.0c02147
Ibele LM, Sanchez-Murcia PA, Mai S, Nogueira JJ, Gonzalez L. Excimer Intermediates en Route to Long-Lived Charge-Transfer States in Single-Stranded Adenine DNA as Revealed by Nonadiabatic Dynamics. Journal of Physical Chemistry Letters. 2020 Sept 17;11(18):7483-7488. doi: 10.1021/acs.jpclett.0c02193
Westermayr J, Marquetand P. Machine learning and excited-state molecular dynamics. Machine Learning: Science and Technology. 2020 Sept 17;1(4):043001. doi: 10.1088/2632-2153/ab9c3e
Talotta F, Boggio-Pasqua M, Gonzalez L. Early Relaxation Dynamics in the Photoswitchable Complextrans-[RuCl(NO)(py)(4)](2+). Chemistry: A European Journal. 2020 Sept 4;26(50):11522-11528. Epub 2020 Apr 12. doi: 10.1002/chem.202000507
Sanchez-Murcia PA, Nogueira JJ, Plasser F, Gonzalez L. Orbital-free photophysical descriptors to predict directional excitations in metal-based photosensitizers. Chemical Science. 2020 Aug 7;11(29):7685-7693. doi: 10.1039/d0sc01684e
Kaufman B, Rozgonyi T, Marquetand P, Weinacht T. Coherent Control of Internal Conversion in Strong-Field Molecular Ionization. Physical Review Letters. 2020 Jul 29;125(5):053202. doi: 10.1103/PhysRevLett.125.053202
Martinez-Camarena A, Sanchez-Murcia PA, Blasco S, Gonzalez L, Garcia-Espana E. Unveiling the reaction mechanism of novel copperN-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity. Chemical Communications. 2020 Jul 11;56(54):7511-7514. doi: 10.1039/d0cc01926g
Westermayr J, Gastegger M, Marquetand P. Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics. Journal of Physical Chemistry Letters. 2020 May 21;11(10):3828-3834. doi: 10.1021/acs.jpclett.0c00527
Westermayr J, Faber FA, Christensen AS, von Lilienfeld OA, Marquetand P. Neural networks and kernel ridge regression for excited states dynamics of CH2NH2+: From single-state to multi-state representations and multi-property machine learning models. Machine Learning: Science and Technology. 2020 May 19;1(2):025009. doi: 10.1088/2632-2153/ab88d0
Showing entries 41 - 60 out of 62