4 Dec 2023
-This roadmap article on molecular modelling of energy materials for electrochemical energy storage and conversion point to new directions. Machine learning will play an increasingly important role in the modelling community, says WISE researcher Chao Zhang.
Sustainable advancement of our society is closely tied to how we strategically use materials. Whether it is constructing infrastructure, or developing cutting-edge energy technologies, the decision to use readily available off-the-shelf materials versus creating new material systems that provide clear sustainability features and that can make it back to economy is crucial. Companies are now choosing the latter strategy and materials science is thus needed to support and speed up the transformation to sustainability.
Fortunately, computational modelling of materials from the atomic level to macroscopic structures has matured significantly in recent decades, allowing for a substantial reduction in development timelines. This advancement facilitates rapid, large-scale screening of materials, thereby speeding up the discovery and development of new materials for society and industry.
In the recent publication “2023 Roadmap on molecular modelling of electrochemical energy materials”, published in the Journal of Physics: Energy, guest editors Chao Zhang and Jun Cheng have compiled a strategic roadmap. This roadmap, a collaborative effort involving 20 research groups across 11 countries, serves as a gateway providing both experts and beginners with a quick overview of the status and associated challenges in molecular modelling of energy materials. The roadmap focuses on materials specifically designed for applications in batteries, supercapacitors, CO2 reduction reactions, and fuel cells.
-Molecular modelling has already become a crucial part of the toolbox for materials scientists. This roadmap article on molecular modelling of energy materials for electrochemical energy storage and conversion point to new directions. Machine learning will play an increasingly important role in the modelling community. However, we shouldn’t forget the job of theoreticians is also to represent the subject in its greatest simplicity. Numbers and insights are both important, explains WISE researcher Chao Zhang.
The roadmap article can be found at
https://iopscience.iop.org/article/10.1088/2515-7655/acfe9b
Bio
Chao Zhang is an Associate Professor at the Department of Chemistry at Ångström Laboratory at Uppsala University, and he is also a WISE researcher. His WISE project is about proton reactivity and intercalation in layered metal oxide materials that show pseudocapactive behavior. In this project, he and his colleagues leverage machine learning and molecular modeling techniques recently developed within their group.
To read more about Zhang’s WISE project visit: https://wise-materials.org/project/solvated-metal-oxides-for-energy-storage-proton-dynamics-in-confinement/
24 Apr 2024
Peter got his PhD degree in applied physics from Linköping university in the 90’s. After getting his degree he worked for 28 years in industry and at research institutes, mainly with thin film processes for electronic devices.
19 Apr 2024
In a scientific breakthrough, researchers have successfully produced a sheet of gold that is only one atomic layer thick: goldene. The discovery stems from a collaborative effort from Linköping University, including Professor Lars Hultman and Professor Johanna Rosén, both WISE researchers. Their findings are published in the journal Nature Synthesis.
19 Apr 2024
WISE will be investing up to 90 million SEK over the course of the entire program period (2022-2033) in the WISE Guest Professor program.
Picture taken by Peter Holgersson.
10 Apr 2024
WISE researcher, Maryna Pankratova, based at Uppsala University is organizing an engaging seminar series titled “Machine Learning meets Materials Science”. This initiative is connected to the WISE-WASP project call.
9 Apr 2024
Erica Zeglio: looking at ways to simplify and increase the sustainability of materials and fabrication processes for organic bioelectronics.
5 Apr 2024
Paula Sebastian Pasqual: a material scientist passionate about developing copper catalysts for electrochemical CO2 reduction.
2 Apr 2024
WISE takes pride in featuring our distinguished researchers, and this time we are happy to introduce Glib Baryshnikov, Assistant Professor in the Laboratory of Organic Electronics (LOE) at Linköping University.
20 Mar 2024
As the former chair of the WISE board and the current executive director of the Knut and Alice Wallenberg Foundation, Sara Mazur reflects on the achievements of WISE and contemplates the future challenges that lie ahead.
19 Mar 2024
The successful event took part at Clarion Hotel Post 14-15 March in Gothenburg and had an encouraging attendance from academia and industry with over 200 participants.
19 Mar 2024
-This conference is of special interest for WISE researchers that work with developing sustainable materials and materials for environmental remediation because the detection and characterisation of hazardous chemicals will be of focus here, explains Anneli Kruve, Associate Professor at Stockholm University and WISE researcher.
13 Mar 2024
Professor Anders Nilsson is one of the prominent speakers at the WISE Dialogue in Gothenburg, Sweden on 14-15 March. He recently returned from the United States, where he was honored with the Earle K. Plyler Prize from the American Physical Society for Molecular Spectroscopy and Dynamics.
12 Mar 2024
Eva is the vice President of Materials & Package at Tetra Pak and will talk about material innovation and research.
11 Mar 2024
WISE is proud to announce the first Summer School on Additive Manufacturing. The school is organized by the WISE Additive Research and Technology Platform, involving all three nodes – Uppsala University, Chalmers University of Technology, and Linköping University.
7 Mar 2024
Linnea is the Manager for Sustainable Material Strategy within Volvo Cars’ Global Sustainability Team
6 Mar 2024
Originally from Germany, Associate Professor Ute Cappel has spent most of her academic career between the United Kingdom and Sweden. Now, she is back in Sweden and has recently started a new position as WISE Fellow at Uppsala University. Scheduled to present her research at the upcoming WISE Dialogue on March 14-15, Dr. Cappel brings a wealth of expertise on solar cells to the Dialogue.
27 Feb 2024
We are happy to introduce Annika Ölme, one of our speakers at the WISE Dialogue conference, March 14-15.
26 Feb 2024
The climate change is one of the biggest challenges of our time and it is more urgent than ever to develop sustainable materials fast.
24 Feb 2024
The WISE Dialogue is well known for featuring distinguished speakers. Among the esteemed speakers at this year’s event is Dr. Andrea Taroni, Director of Submissions and Author Services at Springer Nature.
19 Feb 2024
WISE has recently announced the second call (ip2) for industrial PhD and postdoctoral research projects. We are now inviting industry representatives and principal investigators of the WISE partner universities to information webinars.
16 Feb 2024
On a mission to develop sustainable catalysts using synchrotron-based methods.
15 Feb 2024
In a recent article in the journal of Advanced Science, Erica Zeglio, a WISE Fellow at Stockholm University, alongside colleagues from the Royal Institute of technology and Stockholm University, achieved ground-breaking precision patterning of polymers at the microscale using high-throughput femtosecond direct laser writing.
13 Feb 2024
WISE is very proud to have outstanding professors participating in the program. In this occasion we are happy to introduce Assistant Professor Nara Kim at Linköping University.
Picture taken by Thor Balkhed at Linköping University.
13 Feb 2024
It is soon time for our second WISE Dialogue. This annual event is devoted to the WISE community, as well as representatives from industry and society, and will take place in Gothenburg on March 14-15.
12 Feb 2024
Tetra Pak and Lund University explore ways to reduce carbon footprint of packaging materials.
8 Feb 2024
In a recent Correspondence to Nature Materials, WISE-affiliated researchers urge scholars to expand the envelope of sustainability and circularity in Materials Science research with a systematic perspective.
6 Feb 2024
WISE-affiliated researchers at Linköping University demonstrated a new, more environmentally friendly way to create conductive inks that can be used to manufacture organic electronics such as solar cells, artificial neurons, and soft sensors.
Picture taken by Thor Balkhed, Linköping University.
22 Jan 2024
In the study published in Nature, two fields of intense study – 2D materials and correlated electron behavior – have found a direct contact point with a newly identified material: CeSiI.
12 Jan 2024
WISE is now investing 500 MSEK for equipment and infrastructure at seven universities in Sweden to establish a national infrastructure for sustainable materials reseach.
Picture taken by Thor Balkhed, Linköping university.
8 Jan 2024
Sven Stafström is the new Chair of the WISE board from January 1, this year. He succeeds Sara Mazur who has served as Chair of the WISE board since 2021.
Picture taken by Johanna Hanno
18 Dec 2023
On December 5-6, 2023, PhDs and Postdocs within WISE participated in a study trip to the south of Sweden, organized by WISE graduate school. On this very first WISE study trip, we visited Stena Recycling, MAX IV, NanoLund.