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  • Currently displaying 21 - 40 of 31868 publications
Author(s)
Publication title
Journal Name
Publication year
In Situ and Operando Neutron Powder Diffraction of NaxNiO2: A Case Study for Sodium-Ion Batteries
JMA Steele, GE Pérez, FN Sayed, LAV Nagle-Cocco, C Tacconis, A Lencioni, I Scheer, SE Dutton, CP Grey
Journal of the Electrochemical Society
(2026)
173
Insensitivity of sp-bands protects the residual resistivity of CrMnFeCoNi from atomic short-range order
NF Piwek, CD Woodgate, A Marmodoro, HP Huber, J Minár, D Redka
Scripta Materialia
(2026)
288
Efficient searches for low-energy structures in clusters with thousands of particles: Application to the Thomson problem.
P Amore, DJ Wales
Journal of Chemical Physics
(2026)
165
Interpreting the Hall effect of highly doped conducting polymers
Y Ma, X Ren, J Fan, S Hoek, H Sirringhaus
Science Advances
(2026)
12
Strain-Dependent Wetting of Graphene
DW Lim, XR Advincula, WC Witt, A Michaelides, FL Thiemann, C Schran
(2026)
Unique features of EIGHT fold—Proteins with the most complex 83 knotted topology
M Mozajew, M Sikora, M Fortunka, AP Perlinska, A Kluza, S Niewieczerzal, FB da Silva, M Lukaszewicz, JA Sikorska, LJ Mikulska, SE Jackson, JI Sulkowska
Proceedings of the National Academy of Sciences
(2026)
123
Challenging Atomistic Foundation Models on Disordered Carbons
J Hart, SGH Brookes, FL Thiemann, C Schran
(2026)
Spatiotemporal Imaging of Thermally Driven Metal-Insulator Phase Domain Propagation in VO2
I Delbono, R Amara, M Feldman, H Yang, C Leau, C Scian, E Dandeu, S Royer, D Pierucci, E Lhuillier, F Vidal, T Cesca, HB de Aguiar, J Ordonez-Miranda, D Fournier, R Pandya, B Kalinic, G Mattei, JK Utterback
(2026)
Protein Language Model Guided Optimization for AAV Capsid Design
L Colwell
Nature Biotechnology
(2026)
Molecular Origins of Catalysis in Random Heteropolymer Enzyme Mimics through All-Atom Simulations.
SL Hilburg, Z Han, T Jin, P Ganesh, H Yu, P Kang, T Xu, A Alexander-Katz
J Phys Chem B
(2026)
130
A fast summation method for the DFT-D3 dispersion correction
V Valeeva, CH Ho, M Geiger, F Pellegrini, G Csányi, E Kucukbenli, C Ortner
(2026)
Evaluating low-cost NDIR CO2 sensors for atmospheric observations in rural settings
O Popoola, P Cicuta, RH Georgiou, L Tom, R Freshwater, K Leet, C Giorio
Atmospheric Measurement Techniques
(2026)
Electrostatic control of chromatin compaction safeguards against apoptotic DNA release
MFD Spicer, S Wijma, N Schütte, J Huertas, MJ Maristany, JI Pérez López, L Chen, M Alaabo, MK Rosen, R Collepardo-Guevara, DW Gerlich
EMBO Journal
(2026)
pymatgen: 15 years of community growth, new functionality, and future prospects
J George, MK Horton, AD Kaplan, SR Kavanagh, J Riebesell, AS Rosen, H Yang, F Adams, M Amachraa, O Andriuc, OA Ashour, S Bajaj, E Banyas, L Barroso-Luque, K Berket, N Bernstein, A Bhardwaj, AHU Bhatti, SM Blau, B Bocklund, A Bonkowski, D Broberg, G Brunin, K Bystrom, CA Cardot, R Chang, C Chen, W Chen, X Chen, Y Chiang, K Choudhary, OA Cohen, MD Costa, ST Dacek, MD Jong, T Demeyere, AK Dozier, A Dunn, S Dwaraknath, MT Dylla, K Eimre, AR Epstein, C Ertural, M Esters, ML Evans, J Falke, A Fekete, B Field, A Fonari, NC Frey, DW Gaines, AM Ganose, M Giantomassi, REA Goodall, P-F Gostin, A Gupta, V-A Ha, G Hautier, N Heinsdorf, MF Herbst, T Hou, P Huck, Y Ikeda, AJ Jackson, S Jayaraman, FR Kearns, S Kim, RS Kingsbury, AM Krajewski, Y Kumagai, MC Kuner, WT Laderer, W Li, X-G Li, YH Liang, H Liu, K Liu, M Liu, A Lutfi, O Marchand, MJ McDermott, BK Medasani, F Meng, KD Miller, H Miranda, RS Mohanakrishnan, JH Montoya, GC Moore, BJ Morgan, JM Munro, K Muraoka, AA Naik, W O'Leary, A Onwuli, J Park, DF Parsons, K Pei, G Petretto, TAR Purcell, J Qi, X Qu, I Radchenko, NN Rajput, F Ricci, BS Rich, WD Richards, G-M Rignanese, X Ruan, GS Vallverdu, J Schmidt, J-X Shen, R Shimogawa, K Shinohara, AK Singh, E Sivonxay, S Smeets, TE Smidt, A Sobolev, EWC Spotte-Smith, C Stihl, W Sun, JD Sundberg, Y Suzuki, L Talirz, H Tang, E Taw, C Tezak, F Therrien, SD Thiel, SB Torrisi, ME Turiansky, K Ueltzen, MJV Setten, J Vieten, S Vijay, N Wagner, F Wan, A Wang, J Wang, Z Wang, L Ward, T Warford, D Waroquiers, M Wen, O Weser, N Winner, D Winston, M Wolloch, BM Wood, R Woods-Robinson, Y Xiao, Y Xie, F Yalcin, RX Yang, W Ye, P Zarabadi-Poor, J Zeng, H Zhao, K Zheng, H Zhu, Z Zhu, NER Zimmermann, D Zügner, KA Persson, A Jain, SP Ong
(2026)
Atomic functional site scaffolding in biopolymers with RFdiffusion3.
J Butcher, R Krishna, R Mitra, SM Woodbury, D Kim, RI Brent, Y Li, N Corley, A Favor, A Chen, PT Kim, J Funk, GB Reinoso, K Wu, A Muraishi, HE Eisenach, S Salike, S Mathis, TR Thompson, A Ruder, E Sehgal, A Kubaney, J Chen, Y Politanska, B Coventry, O Zhang, FJ Hardy, B Qiang, K Didi, M Kazman, LL Schaaf, F DiMaio, D Baker
Science
(2026)
Nephrolepis cordifolia Extracts Attenuate Calcium Oxalate Nephrolithiasis Through Redox Modulation and Suppression of Crystal Retention.
J Guo, L Yao, J Liu, H Liu, Q Li, Z Li, Y Li
Antioxidants
(2026)
15
De novo design of cysteine proteases
H Choi, MS Bauer, B Coventry, P Venkatesh, A Chen, D Kim, AK Bera, A Kang, H Nguyen, S Sadre, J Decarreau, E Joyce, B Shankaran, TR Thompson, G Greenstein, K Didi, LL Schaaf, JM Gershon, AF Shida, GR Lee, D Hilvert, SJ Pellock, D Baker
Nature
(2026)
Computational design of metalloproteases
A Chen, K Wu, H Choi, P Venkatesh, SJ Pellock, N Hanikel, H Shin, D Evans, K Didi, LL Schaaf, C Díaz-Perlas, B Coventry, D Kim, SM Woodbury, P Ji, S Honda, AK Bera, H Nguyen, A Kang, Y Wang, X Li, S Gerben, L Chang, X Yan, B Oller-Salvia, AA Hyman, D Hilvert, D Baker
Nature
(2026)
Noise-resilient training of machine learning interatomic potentials.
TCW Lam, N O'Neill, C Schran, LL Schaaf
The Journal of Chemical Physics
(2026)
165
Assessment of an updated polar stratospheric cloud parameterisation for the UK Earth System Model (UKESM1.1) within the UK Met Office Unified Model (v13.9) using CALIOP and MLS observations
I Sangha, NL Abraham, A Orr, H Lu, MC Pitts, LR Poole, M Weimer
Geoscientific Model Development
(2026)
19