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Journal of Chemical Theory and Computation|November 20, 2015
Band-Filling Correction Method for Accurate Adsorption Energy Calculations: A Cu/ZnO Case StudyMatti Hellström, Daniel Spångberg, Kersti Hermansson, et al.Journal of Chemical Information and Modeling|January 15, 2020
PiNN: A Python Library for Building Atomic Neural Networks of Molecules and MaterialsYunqi Shao, Matti Hellström, Pavlin D Mitev, et al.Nature Communications|November 17, 2015
Enhanced wetting of Cu on ZnO by migration of subsurface oxygen vacanciesIgor Beinik, Matti Hellström, Thomas N Jensen, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|July 31, 2019
New Insights into the Catalytic Activity of Cobalt Orthophosphate Co3 (PO4 )2 from Charge Density AnalysisHelena Keil, Matti Hellström, Claudia Stückl, et al.The Journal of Chemical Physics|July 2, 2018
Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101¯0) interface from a high-dimensional neural network potentialVanessa Quaranta, Matti Hellström, Jörg Behler, et al.Physical Chemistry Chemical Physics : PCCP|January 3, 2020
Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutionsYunqi Shao, Matti Hellström, Are Yllö, et al.The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|August 31, 2013
An SCC-DFTB Repulsive Potential for Various ZnO Polymorphs and the ZnO-Water SystemMatti Hellström, Kjell Jorner, Maria Bryngelsson, et al.Journal of Chemical Theory and Computation|October 21, 2022
Importance of Nuclear Quantum Effects on Aqueous Electrolyte Transport under Confinement in Ti3C2 MXenesKarthik Ganeshan, Rabi Khanal, Murali Gopal Muraleedharan, et al.Materials Horizons|December 6, 2021
Super-ions of sodium cations with hydrated hydroxide anions: inorganic structure-directing agents in zeolite synthesisKarel Asselman, Nick Pellens, Sambhu Radhakrishnan, et al.The Journal of Chemical Physics|April 22, 2025
The Amsterdam Modeling SuiteEvert Jan Baerends, Nestor F Aguirre, Nick D Austin, et al.Pageof 2