Results 71 to 80 of about 2,072 (208)
Polariton condensation with saturable molecules dressed by vibrational modes
, 2014 JAC acknowledges support from EPSRC, SR from the Cambridge Commonwealth trust, JK from EPSRC program "TOPNES" (EP/I031014/1) and EPSRC (EP/G004714/2). Argonne National Laboratory's work was supported by the U.S.
Cwik, Justyna +7 more
core +1 more source
When Biology Meets Medicine: A Perspective on Foundation Models
Advanced Intelligent Discovery, EarlyView.Artificial intelligence, and foundation models in particular, are transforming life sciences and medicine. This perspective reviews biological and medical foundation models across scales, highlighting key challenges in data availability, model evaluation, and architectural design.
Kunying Niu +3 more
wiley +1 more source
Angewandte Chemie, EarlyView.A metal‐free fluorinated ketazine‐linked COF is introduced as an efficient electrocatalyst for nitrate reduction to ammonia under neutral conditions. Fluorine substitution enhances π–π stacking and crystallinity, enabling a Faradaic efficiency of 59.9% and an NH3 yield rate of 1639.9 µmol h−1 mgCOF−1 at −0.9 V versus RHE. This establishes an unexplored
Islam E. Khalil +12 more
wiley +2 more sources
Exact nonequilibrium dynamics of a class of initial states in one-dimensional two-component integrable quantum gases [PDF]
, 2016 We present the numerically exact time-evolution of a class of initialstates in integrable one-dimensional two-component quantum gases. Thisspecial class of states, formed from a simple superposition ofeigenstates, contains a well-localized particle of ...
Robinson, N.J., Caux, J.-S., Konik, R.M.
core
Simulation and understanding of atomic and molecular quantum crystals
, 2017 Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (4He and Ne), molecular solids (H2 and CH4), and some ionic (LiH), covalent (graphite), and metallic (Li ...
Cazorla, C ; https://orcid.org/ +5 more
core +1 more source
Advanced Intelligent Discovery, EarlyView.Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi +2 more
wiley +1 more source
Angewandte Chemie, EarlyView.The vibrational frequencies of “dangling” water O─H bonds can be determined by Raman hydration‐ shell spectroscopy and used to differentiate chaotropes from kosmotropes and hydrophobes. Dangling O─H bonds are also detected around superchaotropic anions of the borate cluster type (B12X122−; X = H, F, Cl, Br, and I) but their frequencies do not directly ...
Werner M. Nau +6 more
wiley +2 more sources
Theoretical Studies of dilute Bose-Einstein condensates in a double-well potential [PDF]
, 2004 In this Thesis we apply the Gross-Pitaevskii equation (GPE) to describe properties of a dilute, near zero temperature Bose gas for various confining geometries.
Sakellari, Eleni
core
A Critical Assessment of Bonding Descriptors for Predicting Materials Properties
Advanced Intelligent Discovery, EarlyView.The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik +6 more
wiley +1 more source
Advances in BODIPY Derivatives for Antibacterial Phototherapy
Angewandte Chemie, EarlyView.This review systematically summarizes the design strategies and structure‐activity relationships of BODIPY‐based antibacterial phototherapy, covering molecular engineering of small‐molecule photosensitizers and nanoplatforms, bacterial targeting and carrier design, and discussing the challenges and future perspectives associated with clinical ...
Li Lv +9 more
wiley +2 more sources