Results 231 to 240 of about 12,698 (302)

A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry. [PDF]

J Phys Chem A
Melega L, Nottoli T, Gauss J, Lipparini F.   +3 more
europepmc   +1 more source

Integrated Formal Methods [PDF]

, 2012
openaire   +1 more source

Revealing the Resonant Physics of Open Photonic Time Crystals

Laser &Photonics Reviews, EarlyView.
ABSTRACT Photonic time crystals (PTCs) are media whose permittivity is modulated periodically in time, enabling momentum bandgaps and parametric amplification of light. Their realization at the nanoscale can revolutionize the study of light‐matter interactions.
Adrià Canós Valero, Sergei Gladyshev, David Globosits, Stefan Rotter, Egor A. Muljarov, Thomas Weiss   +5 more
wiley   +1 more source

Quantum superposition in ultra-high mobility 2D photo-transport. [PDF]

Sci Rep
Iñarrea J.
europepmc   +1 more source

Interface Phonon Transmission Behaviors and Their Resultant Influence on Thermal Transport in Cu/Diamond Composites

Materials Genome Engineering Advances, EarlyView.
Cu/diamond heat spreaders are limited by low thermal boundary conductance. Using DFT + DMM, we identify the phonon‐transport factors governing TBC and show that optical–phonon contributions and branch conversion are essential. High‐k $k$ carbides (B4C, WC) and residual B and Cr improve interfacial heat transfer, enabling robust performance versus ...
Qinghe Zheng, William Yi Wang, Leandro Bolzoni, Fei Yang   +3 more
wiley   +1 more source

The Dynamical Evolution Parameter in Manifestly Covariant Quantum Gravity Theory. [PDF]

Entropy (Basel)
Cremaschini C.
europepmc   +1 more source

GPUMDkit: A User‐Friendly Toolkit for GPUMD and NEP

Materials Genome Engineering Advances, EarlyView.
GPUMDkit is a comprehensive and user‐friendly toolkit for GPUMD and NEP programs, integrating format conversion, structure sampling, property calculation, and visualization into a unified interface, substantially lowering the barrier to entry for machine‐learning molecular dynamics simulations with GPUMD and NEP.
Zihan Yan, Denan Li, Xin Wu, Zhoulin Liu, Chen Hua, Boyi Situ, Hao Yang, Shengjie Tang, Benrui Tang, Ziyang Wang, Shangzhao Yi, Huan Wang, Dian Huang, Ke Li, Qilin Guo, Zherui Chen, Ke Xu, Yanzhou Wang, Ziliang Wang, Gang Tang, Shi Liu, Zheyong Fan, Yizhou Zhu   +22 more
wiley   +1 more source

Connectivity Structure and Dynamics of Nonlinear Recurrent Neural Networks. [PDF]

Phys Rev X
Clark DG, Marschall O, van Meegen A, Litwin-Kumar A.   +3 more
europepmc   +1 more source

Nonlocal active sound control for composite regions

Mathematical Methods in the Applied Sciences, EarlyView.
In the active sound control problem, additional sound sources, known as control sources, are implemented at the perimeter of a protected domain. The control sources can generate secondary sound inside the shielded domain, which attenuates incoming noise. This leads to an inverse source problem.
Nan Hu, Sergey Utyuzhnikov
wiley   +1 more source

Impact of gap anisotropy of Polar and Anderson-Brinkman-Morel p-wave superconductors on thermoelectric properties of quantum dot hybrids. [PDF]

Sci Rep
Sonar V, Trocha P.
europepmc   +1 more source