Results 211 to 220 of about 1,054,693 (288)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Quantum light drives electrons strongly at metal needle tips. [PDF]

Nat Phys
Heimerl J, Rasputnyi A, Pölloth J, Meier S, Chekhova M, Hommelhoff P.   +5 more
europepmc   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

Advanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Operator-level quantum acceleration of non-logconcave sampling. [PDF]

Proc Natl Acad Sci U S A
Leng J, Ding Z, Chen Z, Lin L.
europepmc   +1 more source

Injectable Dual‐Network Hydrogel System for Osteochondral Repair Combining Immunomodulation, Mechanical Adaptability, and Enhanced Tissue Integration

Advanced Functional Materials, EarlyView.
A UV‐triggered injectable dual‐network hydrogel is reported as the first application of bletilla striata polysaccharide (BSP) in osteochondral repair. By integrating methacrylamide‐modified BSP and nitrobenzaldehyde‐functionalized hyaluronic acid, the system achieves immunomodulation, mechanical reinforcement, and dynamic tissue adhesion, thereby ...
Jiaming Cui, Feifei Zhou, Yuan Luo, Tao Ouyang, Huiwu Zhang, Songmiao Cheng, Qiang Li, Xu Jiang, Yingying Yu, Yicheng Wang, Hong Ming   +10 more
wiley   +1 more source

Keeping generative artificial intelligence reliable in omics biology. [PDF]

Patterns (N Y)
Burger T.
europepmc   +1 more source

Selective Separation of the Rare Earth Elements Dysprosium and Neodymium via Tailoring Nanocellulose Chemical Structure

Advanced Functional Materials, EarlyView.
Dicarboxylate‐modified anionic hairy cellulose nanocrystals exhibit a high selectivity for dysprosium(III) over neodymium(III). This selectivity arises from disordered dicarboxylate cellulose “hairs” that enable cooperative ionic coordination, hydrogen bonding, and strain‐induced conformational shrinkage.
Roya Koshani, Shang‐Lin Yeh, Karuna Anna Sajeevan, Mica L. Pitcher, Dawson Alexander, Ratul Chowdhury, Amir Sheikhi   +6 more
wiley   +1 more source

Computational parametric mapping of functional neuroimaging data. [PDF]

Imaging Neurosci (Camb)
Steinkamp SR, Chaker I, Hubert F, Meder D, Hulme OJ.   +4 more
europepmc   +1 more source

Are mini multiple gatherings akin to mass gathering events and do they constitute a blind spot in influenza preparedness in post-COVID Europe? [PDF]

New Microbes New Infect
Ceccarelli G, Branda F, Scarpa F, Giovanetti M, d'Ettorre G, Ciccozzi M.   +5 more
europepmc   +1 more source

Silymarin PlantCrystals for Improved Dermal Drug Delivery. [PDF]

Bioengineering (Basel)
Sehra T, Alkhaldi M, Keck CM.
europepmc   +1 more source