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Currently displaying 21 - 40 of 30920 publications

A unified machine-learning framework for ab initio multiscale modeling of liquids

AT Bui, SJ Cox

Proc Natl Acad Sci U S A

(2026)

123

e2610049123

(doi: 10.1073/pnas.2610049123)

Heteroleptic Triangular Prisms from a Quadrilateral Subcomponent with Continuously Variable Geometry

H Xu, PCP Teeuwen, TK Ronson, JR Nitschke

(2026)

(doi: 10.26434/chemrxiv.15006504/v1)

Rem3Di: Learning smooth, chiral 3D molecular descriptors from atomistic foundation models

S Wedig, F Burton, R Elijošius, C Schran, LL Schaaf

(2026)

New secondary metabolites isolated from Streptomyces species

WJ Price Cunliffe, PJ Rutledge

Natural product reports

(2026)

1308

(doi: 10.1039/d5np00069f)

Long-range machine learning of electron density for twisted bilayer moiré materials

Anonymous

PRX Intelligence

(2026)

(doi: 10.1103/4575-9cmx)

Perceptions on Accessible Mentorship and Barriers to Subspecialty Training: A Comparison Study in URiM and Non-URiM Pediatric Cardiology Trainees.

OM Cox, P Yalavarthi, A Duimstra, R Lowery, S Yu, CS Goldberg, CA Gilliam, S Balasubramanian, AD McCormick

Pediatr Cardiol

(2026)

(doi: 10.1007/s00246-026-04385-y)

Physicochemical processes in evaporation-based perovskite LEDs

H-S Yang, J-H Kim, K Park, ED Jung, B-S Kim, J Lee, HJ Snaith, J-W Lee, BR Lee

Nat Rev Chem

(2026)

(doi: 10.1038/s41570-026-00844-5)

Nodal Error behind Discrepancies between Coupled Cluster and Diffusion Monte Carlo

S Lambie, PL Ríos, D Kats, A Alavi

Journal of Chemical Theory and Computation

(2026)

acs.jctc.6c00882

(doi: 10.1021/acs.jctc.6c00882)

Hybrid QM/ML approaches for the prediction of regioselectivity in Minisci C–H functionalisation reactions

SG Espley, M Šiaučiulis, N Palmer, JEH Day, JM Goodman, R Grainger, C Poelking

(2026)

(doi: 10.26434/chemrxiv.15006275/v1)

Patching up the nucleus: a novel role for PMLII in nuclear envelope stability.

AFJ Janssen, O Knowles, S Britton, JR Kumita, JE Deane, E Spruijt, D Larrieu

Nucleic Acids Research

(2026)

gkag665

(doi: 10.1093/nar/gkag665)

Recent advances in antibody-drug conjugates

JD Sydenham, T Wharton, DR Spring

Current opinion in chemical biology

(2026)

102727

(doi: 10.1016/j.cbpa.2026.102727)

Assembly of a bifurcated knot via sequence selective imine condensation

JTF Dobson, JA Davies, TK Ronson, A Tarzia, X Sun, KE Jelfs, JR Nitschke

Nature Synthesis

(2026)

(doi: 10.1038/s44160-026-01115-3)

Suppressing gliding in Ni-rich single-crystal cathodes by defect engineering

R Wang, Z Chen, Z Liu, Z He, A Mahadevegowda, S Oswald, J Stallard, Q Weng, H Wang, SM Fairclough, F Wang, Y Wu, C Ducati, Y Xiao, X Huang, G Chen, N Fleck, CP Grey, MFL De Volder

Joule

(2026)

102400

(doi: 10.1016/j.joule.2026.102400)