The AML-Associated A338V Mutation Rewires GPR183 Signaling through C‑Terminal Ensemble Redistribution
L Andersson, PA Wesołowski, L Jahrstorfer, A De Rosa, T Heger, V Neuman, AK Sieradzan, DJ Wales, P Kozielewicz
Journal of the American Chemical Society
(2026)
RNA Synthesis and Degradation Regulate Biomolecular Condensates through Nonequilibrium Feedback
I Sanchez-Burgos, AR Tejedor, A Ocana, JR Espinosa, R Collepardo-Guevara
ACS Central Science
(2026)
Ring Currents in Open-Shell Condensed Benzenoid Homologues of Some Extended Clar’s Goblets
TK Dickens, RB Mallion
The Journal of Physical Chemistry A
(2026)
Assessing the Transferability of General-Purpose MachineLearning Interatomic Potentials for Heterogeneous Catalysis with HetCat26
A Peuch, G Kler-Young, K Niu, J Hwang, M Mavrikakis, A Michaelides, F Berger
(2026)
PepSpace: An Automated, Physics-Driven Directed Evolution Platform for the De Novo Design of Specific Peptide Binders and Condensate Modulators
J Oller-Iscar, AR Tejedor, A Feito, M Velasco-Estevez, A Ocaña, R Collepardo-Guevara, JR Espinosa
(2026)
An additive reference correction scheme for the transcorrelated method
J Hauskrecht, K Simula, Y Cheng, EMC Christlmaier, D Kats, A Alavi
The Journal of Chemical Physics
(2026)
165
Real-Space Imaging of Thomson Charge Configurations in Superfluid Helium Nanodroplets
D Wales, T Pohl, J Mayerhofer, P Scheier
Physical Review Letters
(2026)
Fast and Accurate Equivariant Foundation Models for Atomistic Simulation
SR Kavanagh, CW Tan, M Wang, ML Descoteaux, GDM Nascimento, U Unneberg, L Zichi, F Libbi, N Rivano, A Glover, V Bharadwaj, A Johansson, WC Witt, A Musaelian, B Kozinsky
(2026)
Molecular simulations of chromatin-associated biomolecular condensates
MJ Maristany, K Russell, I Perez Lopez, J Huertas, R Collepardo-Guevara
Curr Opin Struct Biol
(2026)
101
An Atlas and Design Rules for Single- and Dual-Atom Alloys
F Berger, Y Wang, ECH Sykes, A Michaelides
(2026)
Breaking Water at Graphene Defects
SGH Brookes, IC Popoola, F Berger, KD Fong, A Michaelides, C Schran
(2026)
Stimuli-responsive flows in angstrom-scale channels: general discussion
NR Aluru, M Barboiu, L Bocquet, M-L Bocquet, L Cao, P Carbone, R Dhiman, RAW Dryfe, M Fröba, E Gage, A Ismail, M Jaiswal, TM Kamsma, N Kavokine, AS Korkut, M Kumar, C Liu, JZ Liu, A Michaelides, A Mount, A Noy, I Pagonabarraga, AS Patwari, S Perkin, L Pierrot Deseilligny, A Radenovic, K Raidongia, K Singh, ZS Siwy, D Turculet, Y Wang, Y Xie, Y Zhang
Faraday Discussions
(2026)
266
Molecular and ion sieving with angstrom-channels: general discussion
XR Advincula, NR Aluru, M Barboiu, H Berthoumieux, L Bocquet, M-L Bocquet, M Chen, R Dhiman, A Fica, ZAH Goodwin, F Henn, C Herrero, TM Kamsma, N Kavokine, AS Korkut, AA Kornyshev, M Kumar, JZ Liu, A Michaelides, A Mount, A Noy, S Ostoja-Petkowski, A Radenovic, S Silva, R van Roij, Y Xie, S Yang
Faraday discussions
(2026)
266
When is nanoconfined water different from interfacial water?
XR Advincula, C Schran, A Michaelides
Faraday discussions
(2026)
266
Structure and dynamics of molecules in angstrom-scale confinement: general discussion
XR Advincula, NR Aluru, M Barboiu, ML Berrens, H Berthoumieux, L Bocquet, P Carbone, M Chen, R Dhiman, RAW Dryfe, A Fica, M Fröba, ZAH Goodwin, F Henn, M Jaiswal, TM Kamsma, N Kavokine, AS Korkut, AA Kornyshev, M Kumar, JZ Liu, A Michaelides, A Niyogi, A Noy, S Ostoja-Petkowski, S Perkin, L Pierrot Deseilligny, I Popoola, A Radenovic, B Radha, K Raidongia, H Rauch, V Sanguinetti, M Seyffertitz, K Singh, ZS Siwy, MS Strano, S Swayamjyoti, T Vacus, R van Roij, Y Wang, Y Xie, S Yang, Y Zhang, F Zhou
Faraday discussions
(2026)
266
Chemical pressure and vacancies in crystals under nonhydrostatic stress
M Sprik
(2026)
3D Printed X-ray Compatible Microfluidics for Online Characterization of Hexosomes: A Synchrotron SAXS-on-Chip Study with Molecular Dynamics Insights
Z Babaie, M Valério, F Schuhmann, M Dimaki, B Rezaei, W Pezeshkian, SS Keller, WE Svendsen, PCT Souza, A Yaghmur
(2026)
A fast summation method for the DFT-D3 dispersion correction
V Valeeva, CH Ho, M Geiger, F Pellegrini, G Csányi, E Kucukbenli, C Ortner
(2026)
Presynaptic accumulation of APP-CTFβ may contribute to synaptic dysfunction in Alzheimer's disease.
A Kapadia, F Schuhmann, E Daskin, J Walter, I Lindahl, N Rahmani, THJ Morrema, AJM Rozemuller, BDC Boon, W Pezeshkian, A-S Hafner
EMBO Journal
(2026)
45
Moiré-Induced Symmetry Breaking of Charge Order in van der Waals Heterostructures.
S Sajan, L Pätzold, T Agarwal, C Pfister, H Guo, S Duan, PV Sruthibhai, M Rossi, MN Gastiasoro, S Barja, RP Singh, T Wehling, MM Ugeda
Advanced materials (Deerfield Beach, Fla.)
(2026)
Long-Range Machine Learning of Electron Density for Twisted Bilayer Moiré Materials
Z Lou, AM Lewis, M Rossi
PRX Intelligence
(2026)
1
An Energy Landscape for Elemental Carbon
V Neuman, SW Park, M Wilson, DJ Wales
The Journal of Physical Chemistry Letters
(2026)
17
Path integral molecular dynamics framework for spin-phonon systems
I Srpak, MJ Willatt, SC Althorpe, A Alavi
The Journal of Chemical Physics
(2026)
165
Effective classical potential for quantum statistical averages
VG Sadhasivam, SC Althorpe, V Kapil
Phys Rev E
(2026)
114
Design Space of Self--Consistent Electrostatic Machine Learning Interatomic Potentials
WJ Baldwin, I Batatia, M Vondrák, JT Margraf, G Csányi
(2026)