Results 151 to 160 of about 360 (203)

Navigating the microarray landscape: a comprehensive review of feature selection techniques and their applications. [PDF]

Front Big Data
Wang F, Zain AM, Ren Y, Bahari M, Samah AA, Ali Shah ZB, Yusup NB, Jalil RA, Mohamad A, Azmi NFM.   +9 more
europepmc   +1 more source

Deep Learning‐Based Phase‐Field Modelling of Brittle Fracture in Anisotropic Media

International Journal for Numerical Methods in Engineering, Volume 127, Issue 13, 15 July 2026.
ABSTRACT This work presents a variational physics‐informed deep learning framework for phase‐field modelling of brittle crack propagation in anisotropic media. Previous variational energy‐based neural network (NN) approaches have focused on second‐order, isotropic phase‐field fracture formulations and have relied on fully connected NNs.
Nojus Plungė, Peter Brommer, Rachel S. Edwards, Emmanouil G. Kakouris   +3 more
wiley   +1 more source

From SMILES Codes for Reactants and Products to Transition States With VeloxChem

Journal of Computational Chemistry, Volume 47, Issue 18, July 5, 2026.
Initial guesses for transition state optimizations are produced from a mere input of reactant and product SMILES codes, and achieved by interpolating generated force fields for reactants and products. The entire workflow scheme is implemented in the VeloxChem software.
Bastiaan van Hoorn, Patrick Norman, Mårten S. G. Ahlquist   +2 more
wiley   +1 more source

An Atom-Precise Approach to Damp First-Order Phase Transitions and Its Implications for Neuromorphic Signal Processing. [PDF]

J Am Chem Soc
Agbeworvi G, Kumar N, Ponis JD, Hariyani S, Jerla N, Jardali F, Li J, Zaheer W, Handy JV, Ayala JR, Jaye C, Weiland C, Fischer DA, Shamberger PJ, Guo J, Williams RS, Sambandamurthy G, Banerjee S.   +17 more
europepmc   +1 more source

Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice. [PDF]

Small Methods
Re Fiorentin M, Bianchi MG, Christiansen MAH, Ciotti A, Risplendi F, Wang W, Jónsson EÖ, Jónsson H, Cicero G.   +8 more
europepmc   +1 more source

Molecular dynamics study of the frictional properties of multilayer MoS₂. [PDF]

RSC Adv, 2020
Hu C, Yi C, Bai M, Lv J, Tang D.
europepmc   +1 more source

An Improved FastICA Method for Fetal ECG Extraction. [PDF]

Comput Math Methods Med, 2018
Yuan L, Zhou Z, Yuan Y, Wu S.
europepmc   +1 more source

A molecular dynamics study on the mechanical properties of Fe-Ni alloy nanowires and their temperature dependence. [PDF]

RSC Adv, 2020
Chen J, Li P, Lin EE.
europepmc   +1 more source

Multi-scale modeling of folic acid-functionalized TiO₂ nanoparticles for active targeting of tumor cells.

Nanoscale, 2022
Donadoni E, Siani P, Frigerio G, Di Valentin C.   +3 more
europepmc   +1 more source

Indentation-induced plastic behaviour of nanotwinned Cu/high entropy alloy FeCoCrNi nanolaminate: an atomic simulation. [PDF]

RSC Adv, 2020
Feng H, Tang J, Chen H, Tian Y, Fang Q, Li J, Liu F.   +6 more
europepmc   +1 more source