Results 181 to 190 of about 161,334 (315)

Inference for double Pareto lognormal queues with applications [PDF]

In this article we describe a method for carrying out Bayesian inference for the double Pareto lognormal (dPlN) distribution which has recently been proposed as a model for heavy-tailed phenomena. We apply our approach to inference for the dPlN/M/1 and M/
Michael P. Wiper, Rosa E. Lillo, Pepa Ramirez, Simon P. Wilson   +3 more
core  

Orbital Geometry‐Governed Response of Pressure‐Tunable Quantum Defects in hBN

Advanced Functional Materials, EarlyView.
Defects in hBN act as ultrasensitive quantum manometers when the energy of the intradefect optical transitions is modified by lattice compression. The orbital geometry of the electron wave functions governs how electron hopping and Coulomb interactions react uniquely to the reduction of the van der Waals gap and in‐plane compression, leading to robust ...
Magdalena Grzeszczyk, Danis I. Badrtdinov, Kenji Watanabe, Takashi Taniguchi, Cyrus E. Dreyer, Malte Rösner, Maciej Koperski   +6 more
wiley   +1 more source

Application of Machine Learning in Predicting the Properties of Two-Dimensional Semiconductor Materials. [PDF]

Nanomaterials (Basel)
Yang J, Tang L, Wang Y, Wen J, Chen W.
europepmc   +1 more source

Application of numerical solution methods for singular systems in the field of computational probability theory

, 2018
Krieger, Udo, Sczittnick, Michael
openaire   +1 more source

Electrode and Microstructure Dependence of Oxygen Diffusion in Ferroelectric Hafnium Zirconium Oxide Thin Films

Advanced Functional Materials, EarlyView.
Significant nanoscale oxygen diffusion coefficient variations are measured in ferroelectric hafnium zirconium oxide films with grain boundaries and electrode interfaces exhibiting values 104 times larger than the grain cores. Overall coefficients are 10X larger for films prepared with metal nitride electrodes compared to refractory metals. New insights
Liron Shvilberg, Thomas W. Pfeifer, Chuanzhen Zhou, Yong Kyu Choi, Duk‐Hyun Choe, Patrick E. Hopkins, Jon F. Ihlefeld   +6 more
wiley   +1 more source

A Stochastic Cluster Expansion for Electronic Correlation in Large Systems. [PDF]

J Phys Chem Lett
Canestraight A, Dominic AJ, Montoya-Castillo A, Veis L, Vlcek V.   +4 more
europepmc   +1 more source

Computational Methods in Computational Chemistry

Computational chemistry is a branch of chemistry that utilizes mathematical and computational methods to study the structure, properties, and reactivity of molecules.
Nabilla
core  

Resolving the Cu(bdc) Conundrum: Identifying Non‐Porous Packing of Prototypical Coordination‐Network Thin Films Combining Advanced Diffraction Techniques and Computational Modelling

Advanced Functional Materials, EarlyView.
Solution‐processed Cu(bdc) forms prototypical MOF thin films for which a multitude of not fully satisfactory structural models have been suggested. Combining rotating grazing‐incidence diffraction and X‐ray reflectivity on two complementary samples with density‐functional theory, we first discard the previously suggested models and then identify a non ...
Narges Taghizade, Mario Fratschko, Robbin Steentjes, Mercedes Linares‐Moreau, Paolo Falcaro, Christof Wöll, Roland Resel, Egbert Zojer   +7 more
wiley   +1 more source

Computational modeling of eticyclidine drug adsorption and detection on c₆₀ based nanostructures. [PDF]

Sci Rep
Khafagy ES, Lila ASA, Pishnamazi M.
europepmc   +1 more source

Designed Lewis Acid–Base Passivation for High Performance Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
ABSTRACT Silicon's high cost and long energy payback time remain major barriers to the global expansion of solar power. In contrast, metal–halide perovskites offer abundant, solution‐processable absorbers, and have achieved efficiencies of 25%–30%, positioning them as strong competitors to silicon.
Afna Manaf, Hiba Shahulhameed, Bhabani Sankar Swain, Shengzhong (Frank) Liu, Adel Najar   +4 more
wiley   +1 more source