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Physical Chemistry Chemical Physics : PCCP|November 16, 2013
Free energy barriers for CO2 and N2 in zeolite NaKA: an ab initio molecular dynamics approachAmber Mace, Kari Laasonen, Aatto LaaksonenJournal of Chemical Theory and Computation|February 28, 2019
Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy FieldAmber Mace, Senja Barthel, Berend SmitJournal of Chemical Theory and Computation|November 18, 2015
Temporal coarse graining of CO2 and N2 diffusion in zeolite NaKA: from the quantum scale to the macroscopicAmber Mace, Mikael Leetmaa, Aatto LaaksonenPhysical Chemistry Chemical Physics : PCCP|November 15, 2021
The role of coordination strength in solid polymer electrolytes: compositional dependence of transference numbers in the poly(ε-caprolactone)-poly(trimethylene carbonate) systemTherese Eriksson, Amber Mace, Jonas Mindemark, et al.Physical Chemistry Chemical Physics : PCCP|February 2, 2024
The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulationsMelania Kozdra, Daniel Brandell, C Moyses Araujo, et al.Journal of Chemical Theory and Computation|September 3, 2025
Computationally Efficient DFT-Based Sampling of Ion Diffusion in Crystalline SolidsHannes Gustafsson, Fabian Schwarz, Thijs Smolders, et al.Journal of Chemical Theory and Computation|December 19, 2023
Predicting Ion Diffusion from the Shape of Potential Energy LandscapesHannes Gustafsson, Melania Kozdra, Berend Smit, et al.Chemical Communications (Cambridge, England)|April 30, 2010
NaKA sorbents with high CO(2)-over-N(2) selectivity and high capacity to adsorb CO(2)Qingling Liu, Amber Mace, Zoltan Bacsik, et al.Langmuir : the ACS Journal of Surfaces and Colloids|July 30, 2014
K+ exchanged zeolite ZK-4 as a highly selective sorbent for CO2Ocean Cheung, Zoltán Bacsik, Panagiotis Krokidas, et al.The Journal of Chemical Physics|March 18, 2010
Oxygen-oxygen correlations in liquid water: addressing the discrepancy between diffraction and extended x-ray absorption fine-structure using a novel multiple-data set fitting techniqueKjartan Thor Wikfeldt, Mikael Leetmaa, Amber Mace, et al.Pageof 2