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  • Currently displaying 1361 - 1380 of 29636 publications
Author(s)
Publication title
Journal Name
Publication year
Harnessing Maxwell’s demon to establish a macroscale concentration gradient
J Pruchyathamkorn, B-NT Nguyen, AB Grommet, M Novoveska, TK Ronson, JD Thoburn, JR Nitschke
Nat Chem
(2024)
16
Discovering classical spin liquids by topological search of high symmetry nets
JAM Paddison, MJ Cliffe
(2024)
Assessing the Charge Carrier Dynamics at Hybrid Interfaces of Organic Photoanodes for Solar Fuels.
A Wieczorek, Y Liu, H-H Cho, K Sivula
The journal of physical chemistry letters
(2024)
15
Calibrated prediction of scarce adverse drug reaction labels with conditional neural processes
M Garcia-Ortegon, S Seal, S Singh, A Bender, S Bacallado
(2024)
Biomolecular condensates with complex architectures via controlled nucleation
NA Erkamp, MAM Verwiel, D Qian, T Sneideris, FA Spaepen, DA Weitz, JCM van Hest, TPJ Knowles
Nature Chemical Engineering
(2024)
1
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
BX Shi, DJ Wales, A Michaelides, CW Myung
Journal of Chemical Theory and Computation
(2024)
20
Identification of high-affinity secondary nucleation inhibitors of Aβ42 aggregation from an ultra-large chemical library using Deep Docking
M Vendruscolo, M Brezinova, ZF Brotzakis, R Horne, VR Chowdhury, R Gregory, F Gentile
(2024)
Improved Detection of Drug-Induced Liver Injury by Integrating Predicted in vivo and in vitro Data
S Seal, DP Williams, L Hosseini-Gerami, M Mahale, AE Carpenter, O Spjuth, A Bender
(2024)
Fragment-Based Discovery of Novel MUS81 Inhibitors
GW Collie, U Börjesson, Y Chen, Z Dong, P Di Fruscia, A Gohlke, A Hoyle, TA Hunt, MH Jesani, H Luo, J Luptak, AG Milbradt, P Narasimhan, M Packer, S Patel, J Qiao, RI Storer, CJ Stubbs, J Tart, C Truman, AT Wang, MG Wheeler, J Winter-Holt
ACS Med Chem Lett
(2024)
15
Li‐Site Defects Induce Formation of Li‐Rich Impurity Phases: Implications for Charge Distribution and Performance of LiNi0.5−xMxMn1.5O4 Cathodes (M = Fe and Mg; x = 0.05–0.2)
BE Murdock, J Cen, AG Squires, SR Kavanagh, DO Scanlon, L Zhang, N Tapia-Ruiz
Advanced materials (Deerfield Beach, Fla.)
(2024)
36
Global agricultural N2O emission reduction strategies deliver climate benefits with minimal impact on stratospheric O3 recovery
J Weber, J Keeble, NL Abraham, DJ Beerling, MV Martin
npj Climate and Atmospheric Science
(2024)
7
Excited State-Specific CASSCF Theory for the Torsion of Ethylene
S Saade, HGA Burton
Journal of chemical theory and computation
(2024)
20
Fourfold increase in photocurrent generation of Synechocystis sp. PCC 6803 by exopolysaccharide deprivation
LT Wey, EI Wroe, V Sadilek, L Shang, X Chen, JZ Zhang, CJ Howe
Electrochimica Acta
(2024)
497
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
Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH2)3]Mn(NCS)3.
M Geers, TB Gill, AD Burnett, EN Bassey, O Fabelo, L Cañadillas-Delgado, MJ Cliffe
Physical chemistry chemical physics : PCCP
(2024)
26
Machine-learning structural reconstructions for accelerated point defect calculations
I Mosquera-Lois, SR Kavanagh, AM Ganose, A Walsh
Npj Computational Materials
(2024)
10
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
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