Results 151 to 160 of about 38,140 (258)

Symplectic Structures on the Space of Space Curves. [PDF]

J Nonlinear Sci
Bauer M, Ishida S, Michor PW.
europepmc   +1 more source

Mechanisms of Alkali Ionic Transport in Amorphous Oxyhalides Solid State Conductors

Advanced Energy Materials, EarlyView.
Large‐scale machine learning‐based molecular dynamics simulations are used to investigate isovalent amorphous oxyhalides, revealing a remarkable chemically independent ionic conductivity. A rigorous analysis of alkali residence times across different metal–anion environments identifies divalent anions as key diffusion bottlenecks.
Luca Binci, KyuJung Jun, Bowen Deng, Gerbrand Ceder   +3 more
wiley   +1 more source

Theoretical study on the influence of different exciton Hamiltonians on the excitation dynamic process of the PE555 complex. [PDF]

RSC Adv
Cui X, Sheng Z, Song W, Zhao D, Yan Y, Wei J.   +5 more
europepmc   +1 more source

Symplectic Structure-Aware Hamiltonian (Graph) Embeddings

In traditional Graph Neural Networks (GNNs), the assumption of a fixed embedding manifold often limits their adaptability to diverse graph geometries.
Huang, Xiaowei, Yi, Xinping, Zhang, Tianle, Liu, Jiaxu   +3 more
core  

Bi-Hamiltonian structure in Fermi coordinates

We show that every smooth autonomous dynamical system determined by a never vanishing vector field on a three dimensional manifold locally admits a bi-Hamiltonian structure such that Fermi coordinates in the normal bundle of an integral curve correspond ...
Bayrakdar, T.
core   +1 more source

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

Advanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen, Chiku Parida, Jonas Busk, Jin Hyun Chang, Arghya Bhowmik, Juan Maria Garcia Lastra   +5 more
wiley   +1 more source

Cavity control of multiferroic order in single-layer NiI₂. [PDF]

NPJ Comput Mater
Fan C, Viñas Boström E, Cheng X, Grunwald L, Zhang Z, Kennes DM, Basov DN, Rubio A.   +7 more
europepmc   +1 more source

A global investigation of solitary-wave solutions to a two-parameter model for water waves

, 1996
The model equation (2r''''/15)-(br'')+(ar)+(3r^2/2)-((r')^2/2)+[rr']'=0 arises as the equation for solitary-wave solutions to a fifth-order long-wave equation for gravitycapillary water waves.
Groves, MD, Champneys, AR
core  

Factorization Machine‐Based Active Learning for Functional Materials Design with Optimal Initial Data

Advanced Intelligent Discovery, EarlyView.
This work investigates the optimal initial data size for surrogate‐based active learning in functional material optimization. Using factorization machine (FM)‐based quadratic unconstrained binary optimization (QUBO) surrogates and averaged piecewise linear regression, we show that adequate initial data accelerates convergence, enhances efficiency, and ...
Seongmin Kim, In‐Saeng Suh
wiley   +1 more source

A Superintegrable Quantum Field Theory. [PDF]

Commun Math Phys
De Clerck M, Evnin O.
europepmc   +1 more source