Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 81 - 100 of 30872 publications
Author(s)
Publication title
Journal Name
Publication year
Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
E Welling, L Cadi-Tazi, AJW Thom, M-A Filip
(2026)
What can a kinetic modelling approach reveal about the intricacies of mechanochemical kinetics?
M Carta, AM Belenguer
Phys Chem Chem Phys
(2026)
28
Many-body Interaction Competition Drives Reentrant Phase Transitions
J Qiao, RM Scrutton, D Qian, TPJ Knowles
(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
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
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)
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
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
Materials horizons
(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
EMBO Journal
(2026)
45
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
Chemistry of Materials
(2026)
38
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)
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
Photosynth Res
(2026)
164
Accelerating point-defect simulations using data-driven and machine learning approaches
A Mannodi-Kanakkithodi, M Huang, P Gorai, SR Kavanagh
MRS Bulletin
(2026)
51
Does the sequence of a disordered protein encode small molecule binding paths?
A Louet, G Hummer, M Vendruscolo
(2026)
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)
London Dispersion Governs Stereochemistry, Stability, and Self-Sorting in a System of M4L4 Cages
I Massad, JTF Dobson, PCP Teeuwen, TK Ronson, JR Nitschke
J Am Chem Soc
(2026)
148
Accelerated Reaction Exploration across Scales: A Hybrid Operando and Modeling Study of Oxidation Kinetics in Monolayer Tungsten Disulfide.
J Jaafar, Y Fan, M Kazemzadeh-Atoufi, R Mizuta, J Yang, JEN Swallow, E Jones, M Van Spronsen, G Held, RS Weatherup, P Voorhees, DJ Wales, G Csanyi, S Hofmann
Journal of the American Chemical Society
(2026)
148
Metallic 1T NaxMoS2 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