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LOCATION:Room 5.2A17
DTSTART;TZID=Europe/Stockholm:20250618T090000
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UID:submissions.pasc-conference.org_PASC25_sess148@linklings.com
SUMMARY:MS5E - Data-Driven Design and Simulation of Functional Nanomateria
 ls: Exploring Amorphous Disorder, Spin-Crossover Behavior, and Plasmonic S
 ystems for Solar Energy
DESCRIPTION:The growing demand for sustainable energy solutions and next-g
 eneration materials has propelled the need for innovative design paradigms
  in nanomaterials research. This discussion proposes to explore how data-d
 riven approaches, particularly machine learning (ML) and multiscale simula
 tions, can be employed to rationally design functional nanomaterials with 
 tunable properties—focusing on amorphous disorder, spin-crossover (SCO) ph
 enomena, and plasmonic nanostructures relevant to solar energy conversion 
 and storage. This topic is timely and impactful, aligning with global goal
 s in clean energy, materials informatics, and smart nanotechnology. The di
 scussion aims to catalyze novel ideas and collaborative efforts across dis
 ciplines.\n\nData - Driven Discovery of Fe(III) Based Spin-Crossover Syste
 ms\n\nSpin-crossover (SCO) molecules exhibit bistability between two elect
 ronic states, switching in response to an external stimuli that alters the
  material properties. This makes SCO systems promising  candidates for mol
 ecular-level based applications. The transition temperature (T1/2) marks t
 he point w...\n\n\nJordi Cirera, Jordi Ribas-Arino, and Daniel Vidal Ramon
  (University of Barcelona)\n---------------------\nData-Driven Nanomateria
 ls Design\n\nData-Driven Nanomaterials Design\n\n\nMarco Lattuada (Univers
 ity of Fribourg)\n---------------------\nMachine Learning Analysis of Amor
 phous Materials: Decoding Disorder Effects\n\nAmorphous materials, ubiquit
 ous among natural and manufactured solids, exhibit topological disorder an
 d increased surface entropy. Atomic vacancies, in the form of undercoordin
 ated defects, profoundly alter fluid/surface interactions and can be explo
 ited to design sorbents for direct air capture (DA...\n\n\nIvan Lunati, Ma
 ttia Turchi, and Xuewei Zhang (Empa)\n---------------------\nControl of Ma
 gnetic Interactions in Diradicals and 2D Organic Materials by Means of Ele
 ctric Fileds\n\nMagnetoelectric materials in which applied electric fields
  (E-fields) can control magnetic properties are inherently compatible with
  existing E-field gated electronics and hold huge promise for new technolo
 gical applications (e.g. low power spintronic devices).[1] At present, tra
 nsition metal-based ...\n\n\nJordi Ribas-Arino (University of Barcelona)\n
 \nDomain: Chemistry and Materials\n\nSession Chair: Marco Lattuada (Univer
 siity of Fribourg)
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