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Physical Chemistry Chemical Physics : PCCP|October 19, 2017
Surface phase diagram prediction from a minimal number of DFT calculations: redox-active adsorbates on zinc oxideMatti Hellström, Jörg BehlerThe Journal of Physical Chemistry Letters|August 10, 2016
Concentration-Dependent Proton Transfer Mechanisms in Aqueous NaOH Solutions: From Acceptor-Driven to Donor-Driven and BackMatti Hellström, Jörg BehlerPhysical Chemistry Chemical Physics : PCCP|November 3, 2016
Structure of aqueous NaOH solutions: insights from neural-network-based molecular dynamics simulationsMatti Hellström, Jörg BehlerThe Journal of Physical Chemistry. B|April 5, 2017
Proton-Transfer-Driven Water Exchange Mechanism in the Na+ Solvation ShellMatti Hellström, Jörg BehlerThe Journal of Physical Chemistry. B|October 19, 2018
Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics SimulationsMatti Hellström, Michele Ceriotti, Jörg BehlerJournal of Computational Chemistry|November 4, 2015
Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10(1)0)Matti Hellström, Daniel Spångberg, Kersti HermanssonChemical Science|February 19, 2019
One-dimensional vs. two-dimensional proton transport processes at solid-liquid zinc-oxide-water interfacesMatti Hellström, Vanessa Quaranta, Jörg BehlerThe Journal of Physical Chemistry Letters|March 16, 2017
Proton-Transfer Mechanisms at the Water-ZnO Interface: The Role of PresolvationVanessa Quaranta, Matti Hellström, Jörg BehlerJournal of Chemical Theory and Computation|April 24, 2023
Sensitivity Analysis for ReaxFF Reparametrization Using the Hilbert-Schmidt Independence CriterionMichael Freitas Gustavo, Matti Hellström, Toon VerstraelenJournal of Chemical Information and Modeling|May 13, 2021
ParAMS: Parameter Optimization for Atomistic and Molecular SimulationsLeonid Komissarov, Robert Rüger, Matti Hellström, et al.Pageof 2