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List of works by Matti Hellström

An SCC-DFTB Repulsive Potential for Various ZnO Polymorphs and the ZnO-Water System

scientific article published on 23 July 2013

Band-Filling Correction Method for Accurate Adsorption Energy Calculations: A Cu/ZnO Case Study

scientific article published on 8 October 2013

Concentration-Dependent Proton Transfer Mechanisms in Aqueous NaOH Solutions: From Acceptor-Driven to Donor-Driven and Back.

scientific article published on 9 August 2016

Enhanced wetting of Cu on ZnO by migration of subsurface oxygen vacancies.

scientific article

Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101¯0) interface from a high-dimensional neural network potential

article

New Insights into the Catalytic Activity of Cobalt Orthophosphate Co3 (PO4 )2 from Charge Density Analysis

scientific article published on 08 November 2019

Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations

scientific article published on 18 October 2018

One-dimensional two-dimensional proton transport processes at solid-liquid zinc-oxide-water interfaces

scientific article published on 05 November 2018

PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials

scientific article published on 29 January 2020

Proton-Transfer Mechanisms at the Water-ZnO Interface: The Role of Presolvation.

scientific article

Proton-Transfer-Driven Water Exchange Mechanism in the Na+ Solvation Shell

scientific article published on 4 April 2017

Structure of aqueous NaOH solutions: insights from neural-network-based molecular dynamics simulations.

scientific article published on 2 November 2016

Surface phase diagram prediction from a minimal number of DFT calculations: redox-active adsorbates on zinc oxide

scientific article published on 18 October 2017

Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions

scientific article published on 02 January 2020

Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10(1)0)

scientific article published on 03 November 2015

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