Events in physical chemistry.

Chirality Magic from Magic-Sized Clusters

Abstract: Magic-sized clusters (MSC) are identical CdS inorganic cores that maintain a closed-shell stability, inhibiting conventional growth processes. Because MSCs are smaller than nanoparticles, they can mimic molecular-level processes, and because of their small size and high organic-ligand/core ratio, MSCs have “softer” inter-particle interactions, with access to a richer phase diagram beyond the classical close packed structures seen with larger particles.

Understanding and adapting to the inexorable rise of machine learning in physical sciences

Machine learning is transforming many aspects of people's lives at an extraordinary rate, as shown by the appearance and adoption of large language models, such as chatGPT. It is (at a slower and less successful rate) showing up in physical sciences, appearing in up to 10% of new papers in some areas. Some of these papers are excellent, while many do not meet traditional scientific publishing standards.

RESCHEDULED: Chirality Magic from Magic-Sized Clusters

Magic-sized clusters (MSC) are identical CdS inorganic cores that maintain a closed-shell stability, inhibiting conventional growth processes. Because MSCs are smaller than nanoparticles, they can mimic molecular-level processes, and because of their small size and high organic-ligand/core ratio, MSCs have “softer” inter-particle interactions, with access to a richer phase diagram beyond the classical close packed structures seen with larger particles.

X-PHOTON LITHOGRAPHY FOR OPTICAL NANOPRINTING

Laser direct writing employing multi-photon 3D polymerisation is a technique famous for fusion of high-throughput and fine features down to hundreds of nm. It is already established as a scientific prototyping field and entering industry as an additive manufacturing tool used in various fields such as micro-optics, nanophotonics, biomedicine, metamaterials, programmable materials, etc. In seminar the principles of the method will be introduced, and current state-of-the-art achievements will be shown.

Statistical Estimates of Molecular Biophysics Descriptors of Nanoparticle Protein Coronas

Abstract: A nanoparticle (NP) entering the human body results in the formation of a nano-bio interface in which a variety of proteins play a major role, forming a nanoparticle protein corona (NPC). Recently, studies of the NPC’s biophysical properties have become a major area of research. It is important to understand, characterize and model the biophysical properties and the molecular interactions related to NPCs in biological environments. Understanding these processes should be achieved at a detailed atomic level, however, molecular studies of NPC models are lacking.

Unlocking Realism in Molecular Simulations with Data-Driven Many-Body Potentials

Molecular simulations are instrumental in gaining detailed insights into the properties of complex systems, from biomolecules to materials. At the heart of these simulations is the potential energy function (PEF), which maps out the multi-dimensional energy landscape of the system in question. The accuracy of the PEF is crucial, as it dictates the realism and, consequently, the predictive power of any simulation.

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