Advancing functional molecular matter: Workshop
The quest for novel functional materials is increasingly challenged by the scarcity and geopolitical complexities surrounding key elements. Molecular matter emerges as a compelling alternative, offering unparalleled design flexibility, potential in cocrystal engineering, and energy-efficient synthesis methods.
The tremendous potential of functional molecular matter is highlighted by the development of organic light emitting diodes (OLED). However, the study of broader functional properties, such as feroic properties of molecular crystals is still in its infancy. The weak intermolecular bonding of these materials opens doors for new functional properties, but also challenges both experimental synthesis, characterization, and computational modeling.
This workshop aims to create a forum for both junior and senior researchers, spanning computational and experimental domains, can converge to address the challenges and opportunities in engineering novel functional molecular matter and uncovering their functional properties.
Location: TF1-101 Alpha (right left after the main entrance of REALTEK NMBU)
How to get here: 1) Walk from Ås train station 2) Take the Bus 510 Drøbak to Universitetet i Ås (from Ås Videregående if you start from the bus station, from Ski stasjon if you start from Thon Hotel Ski.)
Lunch: Andedammen Café & Restaurant
Dinner: Ås Bistro,
Organizer: Kristian Berland +47-45679296
Dato:
Sted:
Alfa TF1-101 REALTEK, NMBU, Ås. NORWAY
Adresse:
Drøbakveien 31, 1433 Ås
Kontaktperson:
Program (tentative):
Tuesday 23.01.2024
Morning session, Chair, Kristian Berland
9:30 Morning Coffee,
09.55 Introduction, Kristian Berland
10:00 Elin D. Sødahl, Database mining and computational assessment of (plastic) molecular crystals
10:45 Julian Walker, Electrical, electromechanical and phase transition properties in ionic plastic crystals
11:30 Benjamin Williamson, Approaches to Overcoming the Challenges of Ab Initio Prediction of Functional Plastic Crystals (23+7)
12:00 Lunch Break
Afternoon session, Chair: Julian Walker
13:20 Javier García Ben, Plastic crystals for barocaloroic applications (zoom) (25+5)
13:50 Marcus G. Michaelsen, Solid Solution Engineering of Plastic Crystals for Thermal Energy Storage (12+3)
14:05 Coffee break
14:30 Manjunath Balagopalan, Novel Organic ferroelectrics and their structure-property correlation (25+5)
15:00 Ola Nilsen, Molecular Layer Deposition for material synthesis (25+5)
15:30-17.30 Plenum Discussion. Some bullets:
- How to handle the challenges of synthesizing high-quality molecular matter for devices.
-Can theory and/or spectroscopy be used to aid synthesis?
- How to use theory and experiment together to better understand plastic crystals?
- Lessons of the day: crossover between the talks
17:30 Conference dinner
Wednesday 24.01.2024
Morning session, Chair Ola Nilsen
9:00 Morning coffee
9:30 Maxi Litterst, BTA: a ferroelectric liquid crystal tunable for spintronics, optoelectronics and light induced movement? (35+10)
10:15 Arkalekha Mandal, Exploring Super-Exchange Mechanism in context of Ambipolar Charge Transport in Organic Donor-Acceptor Assemblies. (25+5) (zoom)
10.45 Coffee Break
11:00 Kristian Berland, Why it is difficult to describe non-covalent molecular matter with DFT. (25+5)
11:25 Johannes Fiedler, Modelling pH-sensing via spontaneous decays in functionalised carbon dots (25+5)
12:00 Lunch break
Afternoon session, Chair Carl Henrik Gørbitz
13:00 Dario Alejandro Leon Valido, A tour of many-body theory for modelling excitons in van der Waals heterostructures (15+5)
13:20 Seyedmojtaba Seyedraoufi, Screening and Engineering new organic proton-transfer acid-base (anti-)ferroelectric cocrystals using crystal structure prediction
14:00 Coffee break
14:15 Jonas Nyman, Computational screening for clathrates in CSP landscapes
14:45 Plenum Discussion:
How to tackle modelling challenges for molecular matter?
Molecular matter as multi-functional matter. What opportunities are there?
How to advance the functional molecular matter field in Norway and elsewhere?