about
Ionic polarization-induced current-voltage hysteresis in CH3NH3PbX3 perovskite solar cellsOrigin of unusual bandgap shift and dual emission in organic-inorganic lead halide perovskites.Equilibrium and rate constants, and reaction mechanism of the HF dissociation in the HF(H2O)7 cluster by ab initio rare event simulations.Focus Article: Theoretical aspects of vapor/gas nucleation at structured surfaces.Collective Molecular Mechanisms in the CH3NH3PbI3 Dissolution by Liquid Water.Self-Recovery Superhydrophobic Surfaces: Modular Design.Pressure control in interfacial systems: Atomistic simulations of vapor nucleation.Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods.Relaxation of a steep density gradient in a simple fluid: comparison between atomistic and continuum modeling.Efficient particle labeling in atomistic simulations.Geometry as a catalyst: how vapor cavities nucleate from defects.Extended Intermolecular Interactions Governing Photocurrent–Voltage Relations in Ternary Organic Solar CellsHydrophilicity and Water Contact Angle on Methylammonium Lead IodideMiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry.Ab initio simulation of carbon clustering on an Ni(111) surface: a model of the poisoning of nickel-based catalystsCassie-Baxter and Wenzel states on a nanostructured surface: phase diagram, metastabilities, and transition mechanism by atomistic free energy calculationsHydrodynamics from statistical mechanics: combined dynamical-NEMD and conditional sampling to relax an interface between two immiscible liquidsClathrate structure-type recognition: Application to hydrate nucleation and crystallisationMetastable wetting on superhydrophobic surfaces: continuum and atomistic views of the Cassie-Baxter-Wenzel transitionMassively parallel molecular dynamics simulation of formation of clathrate-hydrate precursors at planar water-methane interfaces: insights into heterogeneous nucleationAn observable for vacancy characterization and diffusion in crystalsIntrusion and extrusion of a liquid on nanostructured surfacesPore Morphology Determines Spontaneous Liquid Extrusion from NanoporesWetting and recovery of nano-patterned surfaces beyond the classical pictureExtreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC
P50
Q36564684-761951D9-0EFD-4957-9C91-1997362BA46BQ37388068-DB836883-BBB3-4407-A7E5-0B150ABAEE54Q45910217-C3FE8727-2549-42F7-8760-06222F028F5FQ47806330-CD6F257E-C31D-40FF-9B9C-0DF7E2A71924Q47824747-2ED27D0F-7BE2-457A-9374-ADA43B0B59A7Q48047859-6CB6793C-4E70-4EB8-BAAB-6265C9488A9DQ49963942-F7471B56-96BC-4742-96A5-FCD08B55E2F4Q50948169-AABC210A-99B2-4B10-8CBA-20D208B237EDQ51021183-A49B5DAE-9047-4256-B7E2-2877AA1AFEDBQ51918157-36B5BAF9-D3BB-4AF4-9142-26E45278DCE3Q54637920-B6F5BCD0-1BDE-4D56-A49C-5D7A2D9FC382Q57967849-4085D17B-C01E-41F8-A9CD-7D2085CC97A6Q60161691-3E37B5B7-B6BB-4317-B412-88009FD038EFQ64945295-E2DF8175-8814-4714-85DA-1BF03ED61486Q82631424-77A87018-2689-4D08-970C-526010B13ACCQ84398701-B4F888A3-FA21-4959-AED2-DA900FA41975Q84425197-6AE72E93-E7CC-41D8-92F6-9F13DE15BD99Q85508568-CCACFD16-EA1A-439B-8DB6-1F2BF35D5F10Q86025446-4E8BEF56-A7C3-4E1C-9B71-856D0233EF64Q87990125-6FFABDFB-3F0D-4D07-98D0-3BC7E08BD57CQ88189416-0E4B9001-3CBA-4E3C-B695-2E4C378E48F2Q88730689-9251F8B0-62B6-43BF-B33B-AC5A2EFA0AD7Q91088069-4CC7CC3D-3A48-4D82-AE51-A6F5305401A5Q91107010-E1388CD9-231E-4A79-AA60-9561EF23FD11Q93195289-6B5A51EB-4660-42CF-A52B-BCCD7DA87EFA
P50
description
onderzoeker
@nl
researcher ORCID ID = 0000-0002-3925-3799
@en
name
Simone Meloni
@ast
Simone Meloni
@en
Simone Meloni
@es
Simone Meloni
@nl
type
label
Simone Meloni
@ast
Simone Meloni
@en
Simone Meloni
@es
Simone Meloni
@nl
prefLabel
Simone Meloni
@ast
Simone Meloni
@en
Simone Meloni
@es
Simone Meloni
@nl
P106
P1153
7003981717
P31
P496
0000-0002-3925-3799