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  • Currently displaying 1381 - 1400 of 29639 publications
Author(s)
Publication title
Journal Name
Publication year
Machine-learning structural reconstructions for accelerated point defect calculations
I Mosquera-Lois, SR Kavanagh, AM Ganose, A Walsh
npj Computational Materials
(2024)
10
Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
AV Solov'yov, AV Verkhovtsev, NJ Mason, RA Amos, I Bald, G Baldacchino, B Dromey, M Falk, J Fedor, L Gerhards, M Hausmann, G Hildenbrand, M Hrabovský, S Kadlec, J Kočišek, F Lépine, S Ming, A Nisbet, K Ricketts, L Sala, T Schlathölter, AEH Wheatley, IA Solov'yov
Chemical Reviews
(2024)
124
Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene
IC Popoola, BX Shi, F Berger, A Zen, D Alfè, A Michaelides, YS Al-Hamdani, .
(2024)
Cubic double perovskites host noncoplanar spin textures
JAM Paddison, H Zhang, J Yan, MJ Cliffe, MA McGuire, S-H Do, S Gao, MB Stone, D Dahlbom, K Barros, CD Batista, AD Christianson
npj Quantum Materials
(2024)
9
Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH 2 ) 3 ]Mn(NCS) 3
M Geers, TB Gill, AD Burnett, EN Bassey, O Fabelo, L Cañadillas-Delgado, MJ Cliffe
Phys Chem Chem Phys
(2024)
26
Capturing carbon dioxide from air with charged-sorbents
H Li, ME Zick, T Trisukhon, M Signorile, X Liu, H Eastmond, S Sharma, TL Spreng, J Taylor, JW Gittins, C Farrow, SA Lim, V Crocellà, PJ Milner, AC Forse
Nature
(2024)
630
Thermodynamically consistent flocking: from discontinuous to continuous transitions
T Agranov, RL Jack, ME Cates, É Fodor
New Journal of Physics
(2024)
26
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
X Liu, J Choi, Z Xu, C Grey, S Fleischmann, A Forse
(2024)
Quasi-solid-state electrolyte induced by metallic MoS2 for lithium-sulfur batteries
Z Li, ZJ Yang, J Moloney, CP Yu, M Chhowalla
ACS nano
(2024)
18
Stimulating Creativity Through Cognitive Symmetry Breaking: Tagorean Theory of Sustainable Human Development
S Ghosh
(2024)
Energy Landscapes and Structural Ensembles of Glucagon-like Peptide-1 Monomers.
AD Keith, EP Brichtová, JG Barber, DJ Wales, SE Jackson, K Röder
Journal of Physical Chemistry B
(2024)
128
Nanomedicine Targeting Cuproplasia in Cancer: Labile Copper Sequestration Using Polydopamine Particles Blocks Tumor Growth In Vivo through Altering Metabolism and Redox Homeostasis.
J Bonet-Aleta, M Encinas-Gimenez, M Oi, AT Pezacki, V Sebastian, A de Martino, A Martín-Pardillos, P Martin-Duque, JL Hueso, CJ Chang, J Santamaria
ACS Applied Materials & Interfaces
(2024)
16
Energy landscapes for the quantum approximate optimization algorithm
C Boy, D Wales
Physical Review A (PRA)
(2024)
109
Advancing AI protein structure prediction and design: From amino acid “bones” to new era of all-atom “flesh”
S Fang, R Wei, Y Cui, L Su
Green Carbon
(2024)
2
Co-aggregation with Apolipoprotein E modulates the function of Amyloid-β in Alzheimer's disease.
Z Xia, EE Prescott, A Urbanek, HE Wareing, MC King, A Olerinyova, H Dakin, T Leah, KA Barnes, MM Matuszyk, E Dimou, E Hidari, YP Zhang, JYL Lam, JSH Danial, MR Strickland, H Jiang, P Thornton, DC Crowther, S Ohtonen, M Gómez-Budia, SM Bell, L Ferraiuolo, H Mortiboys, A Higginbottom, SB Wharton, DM Holtzman, T Malm, RT Ranasinghe, D Klenerman, S De
Nat Commun
(2024)
15
Ian Manners (1961–2023): Learning to Fly
E Leitao, H MacKenzie
Angewandte Chemie International Edition
(2024)
63
Steric Control over Interligand Dihedrals and Splay Leads to the Formation of FeII6L6 and FeII8L8 Antiprisms
Y Yang, Y Du, TK Ronson, JR Nitschke
Ccs Chemistry
(2024)
6
The diversity ofSNCAtranscripts in neurons, and its impact on antisense oligonucleotide therapeutics
JR Evans, EK Gustavsson, I Doykov, D Murphy, GS Virdi, J Lachica, A Röntgen, MH Murtada, CW Pang, H Macpherson, AI Wernick, CE Toomey, D Athauda, ML Choi, J Hardy, NW Wood, M Vendruscolo, K Mills, W Heywood, M Ryten, S Gandhi
(2024)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water.
O Niamh, S Benjamin, F Kara, A Michaelides, C Schran
The Journal of Physical Chemistry Letters
(2024)
15
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
AA Rafaniello
(2024)