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  • Currently displaying 301 - 320 of 31859 publications
Author(s)
Publication title
Journal Name
Publication year
Monte-Carlo study of Compositional Heterogeneity in Multicomponent Cluster Crystals
R Maharana, D Frenkel, J Dobnikar
(2026)
<i>In vitro</i> and <i>in vivo</i> inhibition of amyloid β aggregation by a Ru(II)-naphthalene diimide complex.
MA Tiburcio, MP Cali, LMB Pereira, AE Graminha, I Atienza-Navarro, M Vendruscolo, M Garcia-Alloza, RM Carlos
Dalton Trans
(2026)
55
Particle Size-Graded Bilayer Electrodes for Enhanced Transport in Layered Transition Metal Oxide Cathodes
HJ Tan, J Le Houx, CP Grey, M De Volder
Journal of The Electrochemical Society
(2026)
173
Post-Synthetic Functionalization of Covalent Organic Frameworks via Thermal Azide–Alkyne Cycloaddition for Enhanced Photocatalytic H2O2 Evolution
Y Wang, W Zhang, J Jiang, H Liu, Y Liu, L Yao
ACS Applied Energy Materials
(2026)
9
Transcriptomic and proteomic responses to gas vesicle collapse in native and engineered bacterial systems.
M Iburg, AO Bailey, A He, WK Russell, GJ Lu
(2026)
Climate impacts of hydrogen emissions
M Sand, IB Ocko, T Sun, RB Skeie, DA Hauglustaine, NJ Warwick, DS Stevenson, F Paulot, G Myhre, AT Archibald, M Sandstad, S Krishnan, M Prather
Nature Reviews Earth & Environment
(2026)
7
Growth arrest of thoracic aortic aneurysms in aging Marfan mice
CW Means, G Mays, N Yeung, C Cavinato, EP Manning, TT Lam, JD Humphrey, D Weiss
AJP Heart and Circulatory Physiology
(2026)
331
Poly(phosphazene)-Coatings for Stabilizing Silicon Thin-Film Anodes in Lithium-Ion-Batteries.
N-JH Kneusels, BE Smith, K Mylrea, Y Jin, Z Ruff, RS Weatherup, DS Wright, CP Grey
ACS Applied Materials &amp; Interfaces
(2026)
18
Properties of [Fe(salen)] 2 ‐μ‐Oxo Derivatives and Their Effect on Catalytic Hydrophosphination
NJ Buxton, EO Dadge, OS Matys, MAA Entwisle, RL Webster
European Journal of Organic Chemistry
(2026)
29
Interplay of local and long-range structure underpins electrochemical behaviour in disordered rock salt LiNiO2
J Castells-Gil, FN Sayed, JM Stratford, B Dong, J-M Price, W Lima da Silva, Y Zhang, LR Owen, J Liu, I Mikulska, C Li, CP Grey, PR Slater, PK Allan
(2026)
Boosting peptide half-life: enabling efficient generation of Fc–peptide conjugates
M Park, FM Dannheim, MA Papworth, R Kay, E Tsonou, D Trajkovski, SJ Walsh, D Hovdal, T Wharton, A-C Nassoy, JS Parker, DR Spring
Chemical Science
(2026)
17
Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
E Welling, L Cadi-Tazi, AJW Thom, M-A Filip
(2026)
Many-body Interaction Competition Drives Reentrant Phase Transitions
J Qiao, RM Scrutton, D Qian, TPJ Knowles
(2026)
Better without(Formula presented) (Formula presented): impact of selective Hubbard(Formula presented) (Formula presented)correction on foundational MLIPs
T Warford, FL Thiemann, G Csányi
Machine Learning: Science and Technology
(2026)
7
Carrier Localization in Pnictogen-Based Chalcohalides from Defect-Bound Hot Polarons
X Guo, J Ye, CL Alvarez, MO Liedke, M Butterling, M Alanazi, Y-T Huang, J Wu, Z Zhang, L Van Turnhout, Y Boeije, B Xue, Q Wang, H Lohan, SR Kavanagh, A Wagner, E Hirschmann, RA Taylor, A Rao, E Saucedo, C Cazorla, RLZ Hoye
(2026)
Fatty acids in Antarctic sea ice: advancing detection, investigating variability and exploring applications as algal biomarkers and paleoclimate proxies
S Johnson
(2026)
Unravelling key phenomena in ball milling reactions toward fundamental principles—a minireview tutorial
AM Belenguer
Physical Chemistry Chemical Physics
(2026)
28
How reproducible are first-principles simulations of liquid water?
N ONeill, BX Shi, WJ Baldwin, AP Bartok, CJ Pickard, A Michaelides, G Csanyi, TC Berkelbach
(2026)
DFT Accuracy on Crystal Structure Prediction with Machine Learning Interatomic Potentials
LI Midgley, C Lin, JH Moore, F Della Pia, J Antorán, SON Lill, ESE Eriksson, FA Faber, L Tornberg, A Broo, G Csányi
(2026)
Prediction of antibody non-specificity using protein language models and biophysical parameters
LI Sakhnini, L Beltrame, S Fulle, P Sormanni, A Henriksen, N Lorenzen, M Vendruscolo, D Granata
mAbs
(2026)
18