Theory and Spectroscopy of Molecules and Materials (TSM²)

Publications

Journal covers

 

C2PO : an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modification

Source
Journal of Cheminformatics - ISSN 1758-2946-17:1 (2025) p. 1-13
Author(s)

Quantitative 2D fitting of fluorescence-excitation maps : excitation lineshape of single-wall carbon nanotubes

Source
Nanoscale horizons - ISSN 2055-6756- (2025) p.
Author(s)

A miniaturized transverse thermoelectric device for efficient energy harvesting and its capacitive storage

Source
Advanced Materials Technologies - ISSN 2365-709X- (2025) p.
Author(s)

MolAgent : biomolecular property estimation in the agentic era

Source
Journal of Chemical Information and Modeling - ISSN 1549-9596-65:20 (2025) p. 10808-10818
Author(s)
    Jose Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts, Natalia Dyubankova, Dries Van Rompaey, Sairam Menon, Marvin Steijaert, Jörg Kurt Wegner, Hugo Ceulemans, Gary Tresadern, Hans De Winter, Mazen Ahmad

The importance of accounting for non-radiative decay when screening materials for singlet fission : the case of Pigment Red 254

Source
Journal of materials chemistry C : materials for optical and electronic devices - ISSN 2050-7526-13:33 (2025) p. 16981-16997
Author(s)
    Daniel Z. Hook, Rachel Kilbride, Daniel J. Gillard, Samara Medina Rivero, Ravi Kumar Venkatraman, James P. Pidgeon, Alexander Tartakovskii, Jenny Clark