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  • Currently displaying 861 - 880 of 31557 publications
Author(s)
Publication title
Journal Name
Publication year
Condensate-based shells and scaffolds via interfacial liquid-to-solid transition of disordered peptides
C Chen, Q Wang, N Jarnot, I Dijkgraaf, S Deshpande
(2025)
Direct ⍺-C–H Functionalisation of Cyclic Alkylamines
R Phillips
(2025)
Tumor-Specific STING Agonist Synthesis via a Two-Component Prodrug System
N-S Hsu, C Tang, RV Mendes, C Labão-Almeida, CV Dos Reis, AR Coelho, MC Marques, M Cabeza Cabrerizo, R Misteli, TPC Rooney, M Hyvönen, F Corzana, R Fior, GJL Bernardes
Nature chemistry
(2025)
17
Explaining Principles of Tip-Enhanced Raman Images with Ab Initio Modeling
K Brezina, Y Litman, M Rossi
(2025)
Benchmarking distinguishable cluster methods to platinum standard CCSDT(Q) non-covalent interaction energies in the A24 dataset
S Lambie, C Rickert, D Usvyat, A Alavi, D Kats
The Journal of Chemical Physics
(2025)
163
Attosecond-resolved probing of recolliding electron wave packets in liquids and aqueous solutions
A Mondal, N Tancogne-Dejean, G Trenins, S Achotian, M Han, T Balciunas, Z Yin, A Rubio, M Rossi, O Neufeld, HJ Wörner
(2025)
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption.
M Sprik
The Journal of chemical physics
(2025)
163
Bond-Network Entropy Governs Heat Transport in Coordination-Disordered Solids
K Iwanowski, G Csányi, M Simoncelli
(2025)
Multi-head committees enable direct uncertainty prediction for atomistic foundation models
H Beck, P Simko, LL Schaaf, O Marsalek, C Schran
(2025)
Perovskites for next-generation colour conversion displays
J Kim, ED Jung, J You, J Lee, BC Park, HJ Snaith, RH Friend, C Cho, BR Lee
Nature Electronics
(2025)
8
Interfaces at the nano scale: general discussion.
O Ayre, T Azaïs, N Barbosa, H Birkedal, S Ceseri, V Chamard, K Chandra Rajan, DM Chevrier, TEK Christensen, L D'Alba, Y Dauphin, J Deering, R Demichelis, J Duboisset, M Duer, M Elbaum, R Gonnah, L Gower, TA Grünewald, L Houben, B Khurshid, R Kröger, F Marin, MD McKee, F Nudelman, JE Parker, P Rez, N Reznikov, A Rossi, K Sauer, V Schemenz, A Triccas
Faraday discussions
(2025)
261
Cyclization in Linear Step-Growth Polymerizations.
Y Li, J Lyu, W Wang
Macromolecules
(2025)
58
Crystal nucleation in biominerals: general discussion
O Ayre, T Azaïs, N Barbosa, L Bertinetti, H Birkedal, V Chamard, DM Chevrier, TEK Christensen, Y Dauphin, MN Dean, J Deering, R Demichelis, M Duer, M Elbaum, R Gonnah, L Gower, TA Grünewald, L Houben, Y-L Hsu, R Kröger, F Marin, MD McKee, F Nudelman, JE Parker, K Penkman, A Perez-Huerta, P Rez, N Reznikov, A Rodriguez-Palomo, A Rossi, V Schemenz, A Triccas, B Wingender
Faraday Discuss
(2025)
261
Species-specific surface dwell times and accumulation of microbes investigated by holographic microscopy
EE Brock, SA Matthews, EJ Cohen, S Nakamura, LG Wilson
Philosophical Transactions A
(2025)
383
Connecting length scales: general discussion.
O Ayre, S Ceseri, V Chamard, K Chandra Rajan, TEK Christensen, Y Dauphin, J Deering, M Duer, M Elbaum, L Gower, TA Grünewald, L Guichaoua, L Houben, B Khurshid, R Kröger, F Lizzi, F Marin, MD McKee, F Nudelman, JE Parker, E Raguin, P Rez, N Reznikov, A Rodriguez-Palomo, A Rossi, V Schemenz, A Triccas, B Wingender
Faraday Discuss
(2025)
261
Transcorrelated theory for transition-metal atoms
K Simula, M-A Filip, A Alavi
Physical Review A
(2025)
112
Nudibranch color diversity shares a common origin in guanine photonic structures
S Humphrey, X He, T Priemel, V Titze, S Perea-Puente, V Subramanian, C Bouchet-Marquis, B Jesus, S Vignolini
(2025)
The energy landscape of folding in n-C14H30 described by a machine-learned potential
TC Allison, JM Bowman, PL Houston, Y Pillai, C Qu, DJ Wales
Journal of Chemical Physics
(2025)
163
Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE
JS Firoz, F Pellegrini, M Geiger, D Hsu, JA Bilbrey, H-Y Chou, M Stadler, M Höhnerbach, T Wang, D Lin, E Kucukbenli, HW Sprueill, I Batatia, SS Xantheas, M-S Lee, C Mundy, G Csanyi, JS Smith, P Sadayappan, S Choudhury
Hpdc 2025 Proceedings of the 34th International Symposium on High Performance Parallel and Distributed Computing
(2025)
Kinetic Locking of pH-Sensitive Complexes for Mechanically Responsive Polymer Networks
SJK O'Neill, YC Tse, Z Huang, X Chen, JA McCune, OA Scherman
J Am Chem Soc
(2025)
147