Results 211 to 220 of about 198,239 (306)

An exciting Approach to Theoretical Spectroscopy

Advanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno, Alexander Buccheri, Noah Alexy Dasch, Nasrin Farahani, Ignacio Gonzalez Oliva, Andris Gulans, Seokhyun Hong, Manoar Hossain, Hannah Kleine, Martin Kuban, Sven Lubeck, Benedikt Maurer, Pasquale Pavone, Fabian Peschel, Daria Popova‐Gorelova, Lu Qiao, Elias Richter, Santiago Rigamonti, Ronaldo Rodrigues Pela, Maximilian Schebek, Kshitij Sinha, Daniel T. Speckhard, Jan Stutz, Sebastian Tillack, Dmitry Tumakov, Jānis Užulis, Mara Voiculescu, Cecilia Vona, Mao Yang, Claudia Draxl   +29 more
wiley   +1 more source

From Molecular Cleavage to Clinical Effect: A Probabilistic Field Model of Botulinum Toxin Action. [PDF]

Biology (Basel)
Armenti AF, Armenti F.
europepmc   +1 more source

Causal‐Guided Ultra‐Long‐Term Time Series Forecasting Via Anticipated Covariates

Advanced Science, EarlyView.
Often treated as unknown, information from the future remains underutilized.We demonstrate that in a coupled dynamical system, providing the future state of the effect enables accurate forecasting of the cause for a long timesteps. A time series forecasting paradigm that introduces anticipated covariates to represent such known future states is ...
Jintong Zhao, Yufei Liu, Ruixi Huang, Zhongxue Gan, Siyang Leng   +4 more
wiley   +1 more source

Scaling laws for rockfall impact fragmentation emerging from diverse lithologies. [PDF]

Sci Rep
Vergara Á, Palma S, Fuentes R.
europepmc   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

Integration of Digital Therapeutics Into Occupational Rehabilitation in Germany: Multilevel Simulation Study. [PDF]

J Med Internet Res
Wallner C, Schmidt SV, Reinkemeier F, Dick DM, Lehnhardt M, Drysch M.   +5 more
europepmc   +1 more source

Retinomorphic Visual Processing Enabled by Contact‐Engineered IGZO Optoelectronic Synaptic Memtransistors

Advanced Science, EarlyView.
Here, we present an optoelectronic synaptic memtransistor (OSMT) integrating photoresponsive IGZO with contact‐engineered HfO2, enabling electrically and optically tunable synaptic weights. The device demonstrates broad range of tunable conductance states and array‐level image processing, highlighting its potential for intelligent machine vision ...
Donghyun Kang, San Nam, Dayul Nam, In‐Soo Kim, Myung‐Gil Kim, Sung Kyu Park, Yong‐Hoon Kim   +6 more
wiley   +1 more source

Parallel algorithms for phylogenetic inference under a structured coalescent approximation. [PDF]

Proc Natl Acad Sci U S A
Shao Y, Suchard MA, Rambaut A, Ji X, Lemey P, Vasylyeva TI, Baele G.   +6 more
europepmc   +1 more source

AI‐Assisted Digital Single‐Molecule Activity Tracker for Decoupling Intrinsic Heterogeneity from Photo‐Oxidative Damage in High‐Photon‐Flux Enzymology

Advanced Science, EarlyView.
Employing a digital single‐molecule activity tracker (dSMAT), this research demonstrates that high‐photon‐flux irradiation drives progressive oxidative scarring in polymerases. Unlike simple thermal denaturation, real‐time kinetic tracking dynamically visualizes enzymes degrading into multiple impaired subpopulations.
Anran Zheng, Qi Yang, Jinze Li, Fuqiang Ma, Xuefeng Wang, Zhen Guo, Chuanyu Li, Dongshu Li, Jia Yao, Zhiqi Zhang, Wei Zhang, Lianqun Zhou   +11 more
wiley   +1 more source