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Currently displaying 21 - 40 of 31789 publications

Author(s)

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Journal Name

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Min

Max

Tensor-reduced atomic density representations

JP Darby, DP Kovács, I Batatia, MA Caro, GLW Hart, C Ortner, G Csányi

(2026)

(doi: 10.48550/arxiv.2210.01705)

Noise-resilient training of machine learning interatomic potentials.

TCW Lam, N O'Neill, C Schran, LL Schaaf

J Chem Phys

(2026)

165

144116

(doi: 10.1063/5.0327092)

Reassessing Methanesulfonic Acid as a Sea Ice Pr An Example From the Weddell Sea Sector

RM Smith, ZC Weich, C Giorio, CS Allen, ER Thomas

Geophysical Research Letters

(2026)

e2026GL124543

(doi: 10.1029/2026GL124543)

Stable deep-blue organic light-emitting diodes with reduced efficiency roll-off via accelerated exciton utilization

T Huang, H Zhang, Q Wang, B Li, M Mai, Y Xiao, H Bronstein, R Friend, L Duan, D Zhang

Nature Photonics

(2026)

(doi: 10.1038/s41566-026-02029-4)

Zatom-2: Multitask Pretraining on Atomistic Data for Generative Modeling across Domains

M Cretu, A Abrudan, A Panescu, T Perez, R Anand, NB Erichson, MW Mahoney, S Blau, J Jacobson, R Gómez-Bombarelli, R Ying, T Knowles, P Liò, A Morehead

(2026)

Selective Ligand Replacement Leads to Carbene Complexes as Catalysts in Proteins

A Albert Flores, MG Wheeler, OJ Klein, GS Biggs, J Shaw, J Bostock, V Daramy-Williams, M Lambert, N Usselmann, AD Bond, SR Boss, PD Barker

(2026)

(doi: 10.26434/chemrxiv.15010193/v1)

The AML-Associated A338V Mutation Rewires GPR183 Signaling through C‑Terminal Ensemble Redistribution

L Andersson, PA Wesołowski, L Jahrstorfer, AD Rosa, T Heger, V Neuman, AK Sieradzan, DJ Wales, P Kozielewicz

J Am Chem Soc

(2026)

148

44228

(doi: 10.1021/jacs.6c10287)

Noncentrosymmetric Manganese Bismuth Thiocyanate Perovskites

M Geers, DJ Kubicki, SP Argent, JP Tidey, E Salager, BB Duff, O Fabelo, L Cañadillas-Delgado, MJ Cliffe

Chemistry of Materials

(2026)

(doi: 10.1021/acs.chemmater.6c02127)

How Good Is DFT for Solid-Liquid Interfaces? A Comparison With the Random-Phase Approximation for Water on Graphene

XR Advincula, Y Litman, J Shi, F Della Pia, C Schran, A Michaelides

(2026)

Design and synthesis of bioactive molecules.

F Zhang, DR Spring

Beilstein J Org Chem

(2026)

1382

(doi: 10.3762/bjoc.22.112)

WNT/β-catenin increases 3D chromatin mobility and reorganisation during posterior cell state transitions

AAM Wurmser, L Mao, N Markevych, GG Agsu, Y Cao, Z Zhang, M Jonaitis, N De Winter, BD Simons, MM Pradeepa, D Holcman, TE Boroviak, D Klenerman, S Samarajiwa, S Basu

(2026)

(doi: 10.64898/2026.10.05.756771)