Results 201 to 210 of about 102,073 (256)

Enhancing energy predictions in multi-atom systems with multiscale topological learning.

J Mater Chem A Mater
Chen D, Wang R, Wei GW, Pan F.
europepmc   +1 more source

Substrate Activation Efficiency in Active Sites of Hydrolases Determined by QM/MM Molecular Dynamics and Neural Networks. [PDF]

Int J Mol Sci
Polyakov IV, Meteleshko YI, Mulashkina TI, Varentsov MI, Krinitskiy MA, Khrenova MG.   +5 more
europepmc   +1 more source

Evolution equations with fractional laplacian: existence, uniqueness, Lp-Lq estimates, generalized energy conservation and scattering

, 2018
Linniker Monteiro Lourenço
openalex   +1 more source

Vacuum Energy of the Laplacian on the Spheres

, 2016
Louis Omenyi
openalex   +1 more source

Dynamic graph structure evolution for node classification with missing attributes. [PDF]

Sci Rep
Song X, Zhou B, Wang Y, Liu W.
europepmc   +1 more source

Quality Assessment of Solar EUV Remote Sensing Images Using Multi-Feature Fusion. [PDF]

Sensors (Basel)
Dai S, He L, Xu S, Sun L, Chen H, Yu S, Wu K, Wang Y, Xuan Y.   +8 more
europepmc   +1 more source

A Review of Topological Data Analysis and Topological Deep Learning in Molecular Sciences. [PDF]

J Chem Inf Model
Wee J, Jiang J.
europepmc   +1 more source

The catalyst-free green synthesis and QTAIM analysis of anilino-1,4-naphthoquinones as molecular wires. [PDF]

Sci Rep
Rahimi M, Landarani-Isfahani A, Moghadam M, Safari R, Hadi H, Mohammadpoor-Baltork I, Tangestaninejad S, Nasiri N, Kia R.   +8 more
europepmc   +1 more source

Feature level quantitative ultrasound and CT information fusion to predict the outcome of head & neck cancer radiotherapy treatment: Enhanced principal component analysis. [PDF]

Med Phys
Moslemi A, Safakish A, Sannachi L, Alberico D, Czarnota GJ.   +4 more
europepmc   +1 more source

Improving Energy and Molecular Properties by Convergence of the One-Particle Reduced Density Matrix in Variational Quantum Eigensolvers (VQE). [PDF]

J Comput Chem
de Lima AM, Teixeira ES, Silva EDRA, Longo RL.   +3 more
europepmc   +1 more source