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
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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
- computational chemistry
- ion diffusion
- li-ion batteries
- materials modelling
- modeling and simulation
- molecular modelling
- multiscale modeling
- theoretical chemistry
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 (2024)
- The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations (2024)
- Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures (2022)
- Pressure-induced amorphization of noble gas clathrate hydrates (2021)
- Toward Optimal Photocatalytic Hydrogen Generation from Water Using Pyrene-Based Metal-Organic Frameworks (2021)
All publications
Articles
- Predicting Ion Diffusion from the Shape of Potential Energy Landscapes (2024)
- The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations (2024)
- Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures (2022)
- Pressure-induced amorphization of noble gas clathrate hydrates (2021)
- Toward Optimal Photocatalytic Hydrogen Generation from Water Using Pyrene-Based Metal-Organic Frameworks (2021)
- Polyketones as Host Materials for Solid Polymer Electrolytes (2020)
- Adsorption kinetics for CO 2 on highly selective zeolites NaKA and nano-NaKA (2013)
Conferences
