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The inherently high computational cost of iterative self-consistent-field (SCF) methods proves to be a critical issue delaying visual and haptic feedback in real-time quantum chemistry. In this work, we introduce two schemes for SCF…
Graphene Field-Effect Transistors (GFETs) are increasingly employed as biochemical sensors due to their exceptional electronic properties, surface sensitivity, and potential for miniaturization. A critical challenge in deploying GFETs is…
Continuous-time Markov chains are frequently used as stochastic models for chemical reaction networks, especially in the growing field of systems biology. A fundamental problem for these Stochastic Chemical Reaction Networks (SCRNs) is to…
The integration of more renewable energy sources into the power system is presenting system operators with various challenges. At the distribution system level, voltage magnitudes that violate operating limits near large photovoltaic…
In the present work, a batch and continuous production of plasma-activated water (PAW) is reported. To produce PAW in a batch and continuous manner a multiple plasma device setup is used. The multiple plasma device consists of a series of…
The multi-scale flow mechanism is crucial for force and heat loaded on near-space and reentry vehicles, the control of spacecraft by thrusters, the propelling and cooling of MEMS, etc. Since the continuum flow and rarefied flow often exist…
In this paper a data analytical approach featuring support vector machines (SVM) is employed to train a predictive model over an experimentaldataset, which consists of the most relevant studies for two-phase flow pattern prediction. The…
The disturbances from variable and uncertain renewable generation propagate from power systems to natural gas networks, causing gas network operators to adjust gas supply nominations to ensure operational security. To alleviate expensive…
The trade-off among accuracy, robustness, and computational cost remains a key challenge in simulating complex flows. Second-order schemes are computationally efficient but lack the accuracy required for resolving intricate flow structures,…
Macroscopic batch reactors are a core concept in chemical synthesis and catalysis due to their ability to ensure high conversion rates of the used reactants. At the nanoscale, such reactors hold promise due to their potential to enable…
Gaussian process hyperparameter optimization requires linear solves with, and log-determinants of, large kernel matrices. Iterative numerical techniques are becoming popular to scale to larger datasets, relying on the conjugate gradient…
Computer-assisted synthesis planning aims to help chemists find better reaction pathways faster. Finding viable and short pathways from sugar molecules to value-added chemicals can be modeled as a retrosynthesis planning problem with a…
The predictions of a class of phenomenological trap models of supercooled liquids are tested via computer simulation of a model glass-forming liquid. It is found that a model with a Gaussian distribution of trap energies provides a good…
The goal of this report is to present the final project conducted in order to fulfill the requirements of the M.Sc. degree at the Department of Mechanical Engineering, Ben-Gurion University (BGU) of the Negev. The project comprises…
Chemical processes in closed systems are poorly controllable since they always relax to equilibrium. Living systems avoid this fate and give rise to a much richer diversity of phenomena by operating under nonequilibrium conditions. Recent…
Graph transformation formalisms have proven to be suitable tools for the modelling of chemical reactions. They are well established in theoretical studies and increasingly also in practical applications in chemistry. The latter is made…
Mixed-Criticality (MC) systems have recently been devised to address the requirements of real-time systems in industrial applications, where the system runs tasks with different criticality levels on a single platform. In some workloads, a…
Reaction-diffusion processes are the foundational model for a diverse range of complex systems, ranging from biochemical reactions to social agent-based phenomena. The underlying dynamics of these systems occur at the individual…
Incorporating the AC power flow equations into unit commitment models has the potential to avoid costly corrective actions required by less accurate power flow approximations. However, research on unit commitment with AC power flow…
Crystallization is a fundamental process in materials science, providing the primary route for the realization of a wide range of new materials. Crystallization rates are also considered to be useful probes of glass-forming ability. At the…