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  • Currently displaying 121 - 140 of 30913 publications
Author(s)
Publication title
Journal Name
Publication year
Many-body Interaction Competition Drives Reentrant Phase Transitions
J Qiao, RM Scrutton, D Qian, TPJ Knowles
(2026)
Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
E Welling, L Cadi-Tazi, AJW Thom, M-A Filip
(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
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)
Unravelling key phenomena in ball milling reactions toward fundamental principles—a minireview tutorial
AM Belenguer
Physical Chemistry Chemical Physics
(2026)
28
Structural properties, polymorphism, and multiscale disorder unravel energy transport limitations in perylene diimide semiconductors
CJH Smalley, CE Hughes, T Willhammar, R Pandya, SK Saikin, DN Johnstone, J Gorman, J Sung, G Jacucci, PA Midgley, DM Kepaptsoglou, QM Ramasse, A Rao, KDM Harris, SM Collins
Science Advances
(2026)
12
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)
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
Effects of PTMs on Tau Protein Aggregation: Insights from HCG and Atomistic MD Simulations
A Louet, J Stuke, L Pietrek, M Vendruscolo, G Hummer
(2026)
Enhancing Superexchange through Frontier Orbital Engineering in a van der Waals Metal-Organic Magnet.
J Pitcairn, MAT Ongkiko, PJ Speakman, JP Tidey, JW Jordan, GN Newton, P Manuel, JR Stewart, AJ Morris, MJ Cliffe
Chem Mater
(2026)
38
Oppositely-charged coordination cages form a type I porous ionic liquid with two pore sizes.
S Adorinni, HP Ryan, L Ma, TK Ronson, S Gaikwad, B Rossi, L Nasi, JR Nitschke, S Marchesan
Mater Horiz
(2026)
13
Phosphorylation tunes strain-specific protein condensation during rotavirus replication organelle assembly
J Acker, X Wang, AJ Pardal, D Desirò, T Agarwal, A Colyer, A Tollervey, R Scrutton, C Haller, L Sherry, KL Saar, K Fominykh, MLLY Johncock, SH Chong, R Murray, J Terry, JD Schmit, AN Calabrese, TPJ Knowles, A Borodavka
The EMBO journal
(2026)
45
Extracellular electron transfer by the cultured coral photosymbiont Symbiodinium microadriaticum
L Marcel, JT Simon, JM Lawrence, S Menkin, AC Barbrook, RER Nisbet, CJ Howe, JZ Zhang
Photosynthesis research
(2026)
164
Does the sequence of a disordered protein encode small molecule binding paths?
A Louet, G Hummer, M Vendruscolo
(2026)
Accelerating point-defect simulations using data-driven and machine learning approaches
A Mannodi-Kanakkithodi, M Huang, P Gorai, SR Kavanagh
MRS Bulletin
(2026)
51
Coulombic Control of Charge Transfer in Radicals with Quartet Recycling Luminescence
L Matasovic, P Murto, S Yu, W Wang, JD Green, G Londi, W Zeng, L Brown, WK Myers, L van Turnhout, K Armadorou, A Bhanja, S Petrusca, D Beljonne, Y Olivier, F Li, H Bronstein, TJH Hele, RH Friend, S Gorgon
Nat Commun
(2026)
17
London Dispersion Governs Stereochemistry, Stability, and Self-Sorting in a System of M4L4 Cages
I Massad, JTF Dobson, PCP Teeuwen, TK Ronson, JR Nitschke
Journal of the American Chemical Society
(2026)
148
Evolution of Charge and Orbital Ordering, and Cation Vacancy Ordering During Electrochemical Desodiation of Na x NiO2
JMA Steele, JD Bocarsly, LAV Nagle-Cocco, GS Phillips, FN Sayed, GI Lampronti, F Orlandi, P Manuel, I Mikulska, CP Grey, SE Dutton
Journal of the American Chemical Society
(2026)
148
Metallic 1T Na x MoS2 as Sulfur Host for Room Temperature Na-S Batteries
EL Gray, J-I Lee, AE Beardmore, L Loh, ZJ Yang, Y Wang, M Chhowalla
ACS nano
(2026)
20
Solar reforming of plastics using acid-catalyzed depolymerization
PK Kwarteng, Y Liu, C Han, SA Bonke, DM Vahey, C Pulignani, E Reisner
Joule
(2026)
10