Results 141 to 150 of about 5,032 (199)

A Physics-Informed Neural Network Framework Integrating Soft and Hard Constraints for Predicting Biomass Gasification Syngas Compositions. [PDF]

ACS Omega
Zou Q, Huang H, Liu X, Ding J, Ren S, Si F.   +5 more
europepmc   +1 more source

Automated Generation of Reaction Complexes for Double-Ended Transition State Searches. [PDF]

ACS Omega
Fu WJ, Li DB, Xue CM, Lian QK, Zhang YX.
europepmc   +1 more source

A quantum-mechanical framework for million-atom scale biological systems. [PDF]

Commun Chem
Wieners L, Garcia ME.
europepmc   +1 more source

Computational study of the separation of regular sphere clusters in high-Mach-number flow. [PDF]

J Fluid Mech
Whalen T, Deiterding R, Laurence SJ.
europepmc   +1 more source

Tailor-made metasurfaces for scattering control. [PDF]

Sci Rep
Tsukerman M, Grotov K, Mikhailovskaya A, Bezrukov P, Geyman S, Kharchevskii A, Maximenko A, Rozental S, Yusupov I, Bobrovs V, Ginzburg P.   +10 more
europepmc   +1 more source

Influence of Design Parameters on Implant Abutment Performance: A Scoping Review. [PDF]

J Funct Biomater
Prpic V, Kosec P, Skec S, Catic A.
europepmc   +1 more source

Improving event-based methods for modelling flood risk in a variable and non-stationary climate. [PDF]

Philos Trans A Math Phys Eng Sci
Nathan R.
europepmc   +1 more source

Accelerating SCF Orbital Optimization with S-GEK/RVO: Efficient Subspace Compression and Robust Convergence. [PDF]

J Chem Theory Comput
Fdez Galván I, Weßling D, Lindh R.
europepmc   +1 more source

Parametric search made practical*1

Computational Geometry, 2004
openaire   +1 more source

Parametrization of Zirconium for DFTB3/3OB: A Pathway to Study Complex Zr-Compounds for Biomedical and Material Science Applications. [PDF]

J Comput Chem
Penz A, Gamper J, Gallmetzer JM, Purtscher FRS, Hofer TS.   +4 more
europepmc   +1 more source