Close
Condensed Matter & Materials Physics (CMMP)
Research Highlights
Quantifying Cooperativity through Binding Free Energies in Molecular Glue Degraders
Balint Dudas, Christina Athanasiou, Juan Carlos Mobarec, and Edina Rosta
This collaborative work between AstraZeneca scientists and the Rosta group introduces a free energy-based computational method for the accurate identification of molecular glues, specifically demonstrated by its application to cereblon modulators targeting IKZF2.
B Dudas, C Athanasiou, JC Mobarec, and Edina Rosta. Quantifying Cooperativity through Binding Free Energies in Molecular Glue Degraders. J Chem Theory Comput 2025. https://doi.org/10.1021/acs.jctc.5c00064
Intermediate-range solvent templating and counterion behaviour at charged carbon nanotube surfaces
Camilla Di Mino, Thomas F Headen, Nadir S Basma, David J Buckley, Patrick L Cullen, Martin C Wilding, Milo SP Shaffer, Neal T Skipper, Adam J Clancy, and Christopher A Howard
Advanced neutron scattering methods measure the detailed arrangement of solvent molecules around a charged surface for the first time uncovering surprisingly complex and long-range order.
C Di Mino, TF Headen, NS Basma, et al. Intermediate-range solvent templating and counterion behaviour at charged carbon nanotube surfaces. Nat Nanotechnol 20, 639–645 (2025). https://doi.org/10.1038/s41565-025-01865-9
Magnetically and optically active edges in phosphorene nanoribbons
A Ashoka, AJ Clancy, NA Panjwani, A Cronin, L Picco, ESY Aw, NJM Popiel, AG Eaton, TG Parton, RRC Shutt, S Feldmann, R Carey, TJ Macdonald, C Liu, ME Severijnen, S Kleuskens, LA Muscarella, FR Fischer, HBde Aguiar, RH Friend, J Behrends, PCM Christianen, CA Howard, and R Pandya
Phosphorene nanoribbons demonstrate extraordinary magnetic properties, ranging from large internal fields in films to macroscopic alignment in solution, which can be coupled to photoexcitations that localize to the magnetic edge of these ribbons.
A Ashoka, AJ Clancy, NA Panjwani, et al. Magnetically and optically active edges in phosphorene nanoribbons. Nature 639, 348–353 (2025). https://doi.org/10.1038/s41586-024-08563-x
Machine learning the electric field response of condensed phase systems using perturbed neural network potentials
Kit Joll, Philipp Schienbein, Kevin M Rosso, and Jochen Blumberger
A machine learning method is introduced that enables nanosecond simulation of condensed phase systems interacting with external electric fields at ab-initio accuracy.
PK Joll, P Schienbein, KM Rosso, and J Blumberger. Machine learning the electric field response of condensed phase systems using perturbed neural network potentials. Nat Commun 15, 8192 (2024). https://doi.org/10.1038/s41467-024-52491-3
Nature of Topological Phase Transition of Kitaev Quantum Spin Liquids
Huanzhi Hu and Frank Kruger
The topological phase transition between the gapless and gapped Kitaev quantum spin liquids becomes non-trivial in the presence of additional magnetic interactions, resulting in a new universality class with non-Fermi liquid behaviour of the emergent Majorana fermions.
Huanzhi Hu and Frank Kruger. Nature of Topological Phase Transition of Kitaev Quantum Spin Liquids. Phys Rev Lett 133, 146603 (2024). https://doi.org/10.1103/PhysRevLett.133.146603
Thermoelectric transport in molecular crystals driven by gradients of thermal electronic disorder
Jan Elsner, Yucheng Xu, Elliot D Goldberg, Filip Ivanovic, Aaron Dines, Samuele Giannini, Henning Sirringhaus, and Jochen Blumberger
A quantum dynamical simulation approach is developed revealing in atomistic detail how the charge carrier wavefunction moves along a temperature gradient in an organic molecular crystal.
Jan Elsner et al. Thermoelectric transport in molecular crystals driven by gradients of thermal electronic disorder. Sci Adv 10, eadr1758 (2024). https://doi.org/10.1126/sciadv.adr1758
Disorder-Induced Transition from Transient Quantum Delocalization to Charge Carrier Hopping Conduction in a Nonfullerene...
...Acceptor Material Ljiljana Stojanović, Jack Coker, Samuele Giannini, Giacomo Londi, Anders S. Gertsen, Jens Wenzel Andreasen, Jun Yan, Gabriele D’Avino, David Beljonne, Jenny Nelson, and Jochen Blumberger
In organic semiconductors, charge carriers may form delocalized or localized quasiparticles depending on molecular properties and environmental effects. Here, it is shown how structural and electrostatic disorder induce localization.
Stojanović, L et al. Disorder-Induced Transition from Transient Quantum Delocalization to Charge Carrier Hopping Conduction in a Nonfullerene Acceptor Material. Phys Rev X 14, 021021 (2024). https://doi.org/10.1103/PhysRevX.14.021021
Critical fluctuations in a confined driven-dissipative quantum condensate
Hassan Alnatah, Paolo Comaron, Shouvik Mukherjee, Jonathan Beaumariage, Loren N Pfeiffer, Ken West, Kirk Baldwin, Marzena Szymańska, and David W Snoke
Phase fluctuations determine the low-energy properties of quantum condensates. However, at the condensation threshold, both density and phase fluctuations are relevant. The manifestation of a critical quantum state competition unlocks possibilities for the study of condensate formation while linking to practical realizations in photonic lasers.
Hassan Alnatah et al. Critical fluctuations in a confined driven-dissipative quantum condensate. Sci Adv 10, eadi6762 (2024). https://doi.org/10.1126/sciadv.adi6762
EUV-induced hydrogen desorption as a step towards large-scale silicon quantum device patterning
Procopios Constantinou, Taylor J. Z. Stock, Li-Ting Tseng, Dimitrios Kazazis, Matthias Muntwiler, Carlos A. F. Vaz, Yasin Ekinci, Gabriel Aeppli, Neil J. Curson, and Steven R. Schofield
Unleashing the power of extreme-ultraviolet (EUV) light, scientists from UCL and the Paul Scherrer Institute, EPFL, and ETHZ in Switzerland have devised an innovative technique for patterning hydrogen-terminated silicon, charting a course towards the large-scale fabrication of quantum devices in silicon.
Procopios Constantinou et al. EUV-induced hydrogen desorption as a step towards large-scale silicon quantum device patterning. Nat Commun 15, 694 (2024). https://doi.org/10.1038/s41467-024-44790-6