Results 31 to 40 of about 5,509 (159)

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

On the solution of the space-time fractional cubic nonlinear Schrödinger equation

Results in Physics, 2018
The space–time fractional nonlinear Schrödinger equation is studied based on the modified Riemann–Liouville derivative. The fractional mapping expansion method is used to find analytical solution of this model.
E.A. Yousif, E.A-B. Abdel-Salam, M.A. El-Aasser   +2 more
doaj   +1 more source

scTIDE: Deciphering Critical Transitions Through Cell‐Perturbed Manifold Graphs and Optimal Transport Conditional Flow Matching

Advanced Science, EarlyView.
scTIDE identifies single‐cell tipping points by combining manifold‐based graph representations with optimal‐transport conditional flow matching, which preserves intrinsic topology and models distributional dynamics. It supports critical‐transition detection at individual‐cell resolution, prediction of unseen cells, and dimensionality reduction and ...
Jiayuan Zhong, Bowen Niu, Yongbo Yu, Shiyang Nie, Xuerong Gu, Pei Chen, Rui Liu   +6 more
wiley   +1 more source

Cancer‐Associated BCL‐2 Mutants Reveal Mechanisms Towards Venetoclax Resistance

Advanced Science, EarlyView.
Venetoclax (VEN) resistance in chronic lymphocytic leukemia arises from diverse BCL2 mutations. We map mechanisms contributing to VEN resistance across common BCL‐2 variants. G101V and D103Y reduce drug binding and increase sequestration of pro‐apoptotic proteins. V156D blocks VEN allosterically.
Jonas Aufdermauer, Ian de Ridder, Mahjoobeh Ehsani, Marasim Khan, Justin Kale, Lukas P. Frenzel, David Andrews, Spyridoula Karamanou, Ana J. Garcia‐Saez, Geert Bultynck   +9 more
wiley   +1 more source

Peregrine Solitons of the Higher-Order, Inhomogeneous, Coupled, Discrete, and Nonlocal Nonlinear Schrödinger Equations

Frontiers in Physics, 2020
This study reviews the Peregrine solitons appearing under the framework of a class of nonlinear Schrödinger equations describing the diverse nonlinear systems.
T. Uthayakumar, L. Al Sakkaf, U. Al Khawaja   +2 more
doaj   +1 more source

Intrinsic Phonons as a Dynamic Control Knob for Catalytic Reactivity in 2D Materials

Advanced Science, EarlyView.
Intrinsic phonon excitations are demonstrated to serve as a dynamic control knob for catalytic reactivity in 2D materials. Mode‐selective lattice vibrations reconstruct the electronic structure, lower oxygen evolution reaction barriers, establishing a phonon‐engineering paradigm for dynamically regulating electrocatalysis beyond conventional static ...
Kai Ren, Feifan Wang, Yong‐Wei Zhang, Tianyang Liu, Liangzhi Kou, Yu Jing   +5 more
wiley   +1 more source

Study of optical soliton fibers with power law model by means of higher-order nonlinear Schrödinger dynamical system

Results in Physics, 2019
In this paper, the higher-order nonlinear Schrödinger equation (NLSE) represents description of the propagation of short light pulses in mono-mode optical fibers.
Sultan Z. Alamri, Aly R. Seadawy, Haya M. Al-Sharari   +2 more
doaj   +1 more source

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Structure and Spectroscopic Characterisation of Phenanthroline‐Based Iodobismuthate(III) Complexes Utilised for Raw Acoustic Signal Classification

Advanced Intelligent Discovery, EarlyView.
Memristors based on trimethylsulfonium (phenanthroline)tetraiodobismuthate have been utilised as a nonlinear node in a delayed feedback reservoir. This system allowed an efficient classification of acoustic signals, namely differentiation of vocalisation of the brushtail possum (Trichosurus vulpecula).
Ewelina Cechosz, Gisya Abdi, Andrzej Sławek, Marlena Gryl, Konrad Szaciłowski   +4 more
wiley   +1 more source

Jacobi elliptic function approach to a conformable fractional nonlinear Schrödinger–Hirota equation

Partial Differential Equations in Applied Mathematics, 2023
In this present paper we propound the following equation iDtαu+a2Dx2αu+ia3Dx3αu+a4Dx4α+ibDxα|u|2u+iσ|u|2Dxαu+iλDxα|u|2=c1|u|2u+c2|u|4,which is called the generalized nonlinear fractional Schrödinger–Hirota equation with conformable derivative.
Ahmad Sharif
doaj   +1 more source