Results 231 to 240 of about 1,595,436 (304)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

open access: yesAdvanced 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   +2 more
wiley   +1 more source

Atomic‐Scale Light Coupling Control in Ultrathin Photonic Membranes

open access: yesAdvanced Functional Materials, EarlyView.
Ultrathin photonic nanomembranes provide atomic‐scale control over the coupling between incident light and high‐Q photonic modes, enabling angstrom‐level resonance tuning and strong field confinement. When integrated with TMD monolayers, they further yield enhanced light–matter interactions, offering a versatile platform for advancing quantum photonics,
Chih‐Zong Deng   +8 more
wiley   +1 more source

Data-Efficient Language Model for Assessing Pulmonary Embolism Diagnostic Certainty From Radiology Reports: Model Development and Validation Study. [PDF]

open access: yesJMIR Med Inform
Liu F   +12 more
europepmc   +1 more source

Stabilization of Miscible Aqueous Phases via Diffusion‐Controlled Multifunctional Nanoparticle‐Ligand Complexation

open access: yesAdvanced Functional Materials, EarlyView.
This study presents a versatile approach to harnessing miscible aqueous domains, enabling liquid‐in‐liquid compartmentalization using a barrier formed in situ rather than bulk immiscibility. The barrier forms upon the complexation of multifunctional nanoparticles and ligands at the contact boundary of aqueous phases.
Seyyed Alireza Hashemi   +7 more
wiley   +1 more source

Controllable Protein Design by Prefix-Tuning Protein Language Models. [PDF]

open access: yesJ Chem Inf Model
Luo J   +5 more
europepmc   +1 more source

Meta‐Rod Mechanical Metamaterials With Programmable Reconfiguration

open access: yesAdvanced Functional Materials, EarlyView.
Existing mechanical metamaterials achieve programmable large deformations in planar square or cubic configurations, restricted by required complex boundary conditions. This research proposes a 1D metamaterial, Meta‐rod, with linear, bending, twisting, area, and volume deformation modes.
Atharva Pande, Lyes Kadem, Hang Xu
wiley   +1 more source

Application of protein language models for antibody developability prediction. [PDF]

open access: yesMAbs
Amini S   +5 more
europepmc   +1 more source

Ferroelectricity in Antiferromagnetic Wurtzite Nitrides

open access: yesAdvanced Functional Materials, EarlyView.
We establish MnSiN2${\rm MnSiN}_2$ and MnGeN2${\rm MnGeN}_2$ as aristotypes of a new multiferroic wurtzite family that simultaneously exhibits ferroelectricity and antiferromagnetism with altermagnetic spin splitting. By strategically substituting alkaline‐earth metals, we predict new materials with coexisting switchable polarization, spin texture, and
Steven M. Baksa   +3 more
wiley   +1 more source

Home - About - Disclaimer - Privacy