Amber Mace
Associate senior lecturer/Assistant Professor at Department of Chemistry - Ångström Laboratory; Structural Chemistry
- E-mail:
- amber.mace@kemi.uu.se
- Visiting address:
- Lägerhyddsvägen 1
- Postal address:
- Box 538
751 21 Uppsala
Short presentation
Researcher in Computational Materials Chemistry
Research interests:
- Multiscale modeling and method development of diffusion models
- Design of High-throughput screening studies
- Ion diffusion in Li-ion battery materials
- Guest particle interactions and kinetics in nano-porous materials
- Topological analysis of energetic space
Publications: https://scholar.google.com/citations?user=uvsPp_8AAAAJ&hl=sv
TEOROO/CMC group webpage: http://www.teoroo.kemi.uu.se/
Keywords
- modeling and simulation
- molecular modelling
- theoretical chemistry
- computational chemistry
- li-ion batteries
- ion diffusion
- materials modelling
- multiscale modeling
Biography
Employment:
- 2019- Researcher, Uppsala universitet
- 2016-2019 Postdoctoral researcher, École Polytechnique Fédérale de Lausanne, Switzerland
- 2010-2015 PhD student, Department of Materials and Environmental Chemistry, Stockholm University
Education:
- 2015 PhD in Physical Chemistry, Stockholm University
- 2010 MSc in Physics, Stockholm University
Research Grants:
- 2020-2023 Starting grant, Swedish research council (VR)
- 2020-2023 Project grant, Swedish Energy Agency (co-applicant)
- 2016-2019 International Postdoc grant, Swedish research council (VR)
Publications
Recent publications
Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
Part of Journal of Chemical Theory and Computation, p. 18-29, 2024
- DOI for Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
- Download full text (pdf) of Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
Part of Physical Chemistry, Chemical Physics - PCCP, p. 6216-6227, 2024
- DOI for The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations
- Download full text (pdf) of The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations
Part of Chemistry of Materials, p. 11359-11376, 2024
- DOI for Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces
- Download full text (pdf) of Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces
Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures
Part of Crystals, 2022
- DOI for Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures
- Download full text (pdf) of Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures
Pressure-induced amorphization of noble gas clathrate hydrates
Part of Physical Review B, 2021
- DOI for Pressure-induced amorphization of noble gas clathrate hydrates
- Download full text (pdf) of Pressure-induced amorphization of noble gas clathrate hydrates
All publications
Articles in journal
Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
Part of Journal of Chemical Theory and Computation, p. 18-29, 2024
- DOI for Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
- Download full text (pdf) of Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
Part of Physical Chemistry, Chemical Physics - PCCP, p. 6216-6227, 2024
- DOI for The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations
- Download full text (pdf) of The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations
Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures
Part of Crystals, 2022
- DOI for Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures
- Download full text (pdf) of Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures
Pressure-induced amorphization of noble gas clathrate hydrates
Part of Physical Review B, 2021
- DOI for Pressure-induced amorphization of noble gas clathrate hydrates
- Download full text (pdf) of Pressure-induced amorphization of noble gas clathrate hydrates
Part of ACS Applied Materials and Interfaces, p. 57118-57131, 2021
- DOI for Toward Optimal Photocatalytic Hydrogen Generation from Water Using Pyrene-Based Metal-Organic Frameworks
- Download full text (pdf) of Toward Optimal Photocatalytic Hydrogen Generation from Water Using Pyrene-Based Metal-Organic Frameworks
Polyketones as Host Materials for Solid Polymer Electrolytes
Part of Journal of the Electrochemical Society, 2020
- DOI for Polyketones as Host Materials for Solid Polymer Electrolytes
- Download full text (pdf) of Polyketones as Host Materials for Solid Polymer Electrolytes
Adsorption kinetics for CO 2 on highly selective zeolites NaKA and nano-NaKA
Part of Applied Energy, p. 1326-1336, 2013
Articles, review/survey
Part of Chemistry of Materials, p. 11359-11376, 2024
- DOI for Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces
- Download full text (pdf) of Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces