Results 181 to 190 of about 596,491 (297)

A variational framework for residual-based adaptivity in neural PDE solvers and operator learning. [PDF]

NPJ Artif Intell
Toscano JD, Chen DT, Ooomen V, Darbon J, Karniadakis GE.   +4 more
europepmc   +1 more source

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon, Han‐Gyun Lim, Jinyoung Kim, Gyu Min Kim, Seojun Lee, Jun Ryu, SungWon Cho, Jincheol Kim, Hyosung Choi, Jung Sang Cho, Jongsung Park, Dong‐Won Kang   +11 more
wiley   +1 more source

A flexible framework for hyperparameter optimization using homotopy and surrogate models. [PDF]

Sci Rep
Abraham SJ, Maduranga KDG, Kinnison J, Carmichael Z, Hauenstein JD, Scheirer WJ.   +5 more
europepmc   +1 more source

Nanodiamond Quantum Sensors for Probing Free Radical Biology

Advanced Functional Materials, EarlyView.
Free radicals play key roles in cellular signaling and disease but remain difficult to measure in living systems. Nanodiamonds (NDs) with nitrogen‐vacancy (NV) centers enable quantum sensing of local magnetic noise via T₁ relaxometry, providing nondestructive radical detection in living cells.
Qi Lu, Yingke Wu, Tanja Weil
wiley   +1 more source

The Role of Ultra‐Thin Buffer Layers for Achieving Ultra‐Low Dark Currents in Single‐Component Organic Photodetectors

Advanced Functional Materials, EarlyView.
Here, SubNc single‐component organic photodiodes (SC‐OPDs) are investigated, which achieve highly competitive performance metrics, including high EQE, ultra‐low JD, and high specific detectivity (D*). This study emphasizes the critical role of an organic buffer layer in studying the interface energetics and effects to achieve state‐of‐the‐art ...
Anncharlott Kusber, Ying Sun, Jakob Wolansky, Louis Conrad Winkler, Anna‐Lena Hofmann, Fred Kretschmer, Hrisheekesh Thachoth Chandran, Tianyi Zhang, Mike Hambsch, Stefan C. B. Mannsfeld, Karl Leo, Ji‐Seon Kim, Johannes Benduhn   +12 more
wiley   +1 more source

Accelerating mesh-based Monte Carlo simulations using contemporary graphics ray-tracing hardware. [PDF]

J Biomed Opt
Yan S, Dwyer D, Kaeli DR, Fang Q.
europepmc   +1 more source

Ultrasmall Platinum Nanoparticles for Radiation‐Enhanced Cancer Therapy

Advanced Functional Materials, EarlyView.
This work proposes a nanomedicine‐based strategy to enhance X‐ray radiotherapy for cancer treatment. Ultrasmall Pt‐NPs exhibit catalase‐like activity that may contribute to modulation of the tumor microenvironment and amplify interactions between radiation and biological matter, leading to increased DNA damage.
Miguel Encinas‐Gimenez, Jose I. Garcia‐Peiro, Jose L. Hueso, Eduardo Caleiras, Laura Notario, Felipe Hornos, Pilar Martin‐Duque, Antonio De la Vieja, Jesus Santamaria   +8 more
wiley   +1 more source

Evaluating Tuberculosis Surveillance Using Global Standards and Benchmarks in the Philippines: Mixed Methods Study.

JMIR Public Health Surveill
Ahson M, Gaviola DM, O'Connor S, Gutierrez A, Apas M, Eguia MA, Pacial DR, Zamora A, Lacson R, De Guzman A, Moonan PK.   +10 more
europepmc   +1 more source

Representation learning of single-cell RNA-seq data. [PDF]

RNA
Ahlmann-Eltze C, Barkmann F, Lause J, Boeva V, Kobak D.   +4 more
europepmc   +1 more source