Selma Lagerlöf said that culture is what remains when one has forgotten everything we had learned. Without any warranty, through ongoing research tasks, that I will ever attain this high level of wisdom, I simply share here reminiscences that have played, during my life, an important role in my incursions in science, mainly in theoretical physics. I end by presenting some perspectives for future developments.
Download full-text PDF |
Source |
---|---|
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10888229 | PMC |
http://dx.doi.org/10.3390/e26020158 | DOI Listing |
Patterns (N Y)
December 2024
Carnegie Mellon University, Pittsburgh, PA, USA.
This article examines the convergence of physics, chemistry, and artificial intelligence (AI), highlighted by recent Nobel Prizes. It traces the historical development of neural networks, emphasizing interdisciplinary research's role in advancing AI. The authors advocate for nurturing AI-enabled polymaths to bridge the gap between theoretical advancements and practical applications, driving progress toward artificial general intelligence (AGI).
View Article and Find Full Text PDFChem Sci
December 2024
VASP Software GmbH Berggasse 21 A-1090 Vienna Austria.
Constructing a self-consistent first-principles framework that accurately predicts the properties of electron transfer reactions through finite-temperature molecular dynamics simulations is a dream of theoretical electrochemists and physical chemists. Yet, predicting even the absolute standard hydrogen electrode potential, the most fundamental reference for electrode potentials, proves to be extremely challenging. Here, we show that a hybrid functional incorporating 25% exact exchange enables quantitative predictions when statistically accurate phase-space sampling is achieved thermodynamic integrations and thermodynamic perturbation theory calculations, utilizing machine-learned force fields and Δ-machine learning models.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Science and Technology of China, National Synchrotron Radiation Laboratory, 42#, South Road of HeZuoHua, 230029, Hefei, CHINA.
Fe-N-C catalysts, with a planar D4h symmetric FeN4 structure, show promising as noble metal-free oxygen reduction reaction catalysts. Nonetheless, the highly symmetric structure restricts the effective manipulation of its geometric and electronic structures, impeding further enhancements in oxygen reduction reaction performance. Here, a high proportion of asymmetric edge-carbon was successfully introduced into Fe-N-C catalysts through morphology engineering, enabling the precise modulation of the FeN4 active site.
View Article and Find Full Text PDFChemistry
January 2025
Northeastern University, Department of Materials Physics and Chemistry, No.11, Wenhua Road, Lane 3,Heping District, 110819, Shenyang, CHINA.
Pyrene aggregates, as classic luminescent materials, are of great interest from a scientific viewpoint owing to the development of optoelectronic materials. In this study, we designed a compound 1,4,5-triphenyl-2-(pyren-1-yl)-4,5-dihydro-1H-imidazole (IM-PY) which was achieved with two crystalline polymorphs (IMPY-G and IMPY-B). They exhibit the green emission and the blue emission, respectively, both with pyrene serving as the luminescent core.
View Article and Find Full Text PDFNanoscale
January 2025
Department of Physics, McGill University, 845 Sherbrooke West, Montréal, Canada.
Solid-state nanopores exhibit dynamically variable sizes influenced by buffer conditions and applied electric field. While dynamical pore behavior can complicate biomolecular sensing, it also offers opportunities for controlled, modification of pore size post-fabrication. In order to optimally harness solid-state pore dynamics for controlled growth, there is a need to systematically quantify pore growth dynamics and ideally develop quantitative models to describe pore growth.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!