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Due to the established energy production methods contribution to the climate crisis, renewable energy is to replace a substantial part of coal or nuclear plants to prevent greenhouse gases or toxic waste entering the atmosphere. This…
Many energy-intensive industries, like the steel industry, plan to switch to renewable energy sources. Other industries, such as the cement industry, have to rely on carbon capture utilization and storage (CCUS) technologies to reduce their…
Since the beginning of this century, there has been a growing body of research and developments supporting the participation of energy storage systems (ESS) in the emission reduction mandates. However, regardless of these efforts and…
Simple and robust algorithms are developed for compressible Euler equations with the stiffened gas equation of state (EOS), representing gaseous mixtures in thermal equilibrium and without chemical reactions. These algorithms use a fully…
In this paper, a multipurpose Bayesian-based method for data analysis, causal inference and prediction in the sphere of oil and gas reservoir development is considered. This allows analysing parameters of a reservoir, discovery dependencies…
Mixing is an omnipresent process in a wide-range of industrial applications, which supports scientific efforts to devise techniques for optimising mixing processes under time and energy constraints. In this endeavor, we present a…
Uncertainty in state or model parameters is common in robotics and typically handled by acquiring system measurements that yield information about the uncertain quantities of interest. Inputs to a nonlinear dynamical system yield outcomes…
In this work, we present the integrated structure-control design of a 2-DOF underactuated mechanical system, aiming to achieve a periodic motion of the end-effector. The desired behavior is generated via input-output linearization, followed…
Among the numerous questions that arise concerning the exploitation of petroleum from unconventional reservoirs, lie the questions of the composition of hydrocarbons present in deep seated HP-HT reservoirs or produced during in-situ…
A high-ranking goal of interdisciplinary modeling approaches in the natural sciences are quantitative prediction of system dynamics and model based optimization. For this purpose, mathematical modeling, numerical simulation and scientific…
We propose an open-boundary molecular dynamics method in which an atomistic system is in contact with an infinite particle reservoir at constant temperature, volume and chemical potential. In practice, following the Hamiltonian adaptive…
Carbon capture and storage in basalt is being actively investigated as a scalable climate change mitigation option. Accurate geochemical modeling prediction of the extent and rate of CO2 mineralization is a critical component in assessing…
The transition to a low-carbon economy necessitates effective carbon capture and storage (CCS) solutions, particularly for hard-to-abate sectors. Herein, pipeline networks are indispensable for cost-efficient $CO_2$ transportation over long…
Recent experiments in hybrid-quantum systems facilitate the potential realization of one of the most fundamental interacting Hamiltonian-Reservoir system, namely, the single-site Bose-Hubbard model coupled to two reservoirs at different…
We study several approaches to orbital optimization in selected configuration interaction plus perturbation theory (SCI+PT) methods, and test them on the ground and excited states of three molecules using the semistochastic heatbath…
Metabonomics time-course experiments provide the opportunity to understand the changes to an organism by observing the evolution of metabolic profiles in response to internal or external stimuli. Along with other omic longitudinal profiling…
A two-stage multi-period mixed-integer linear stochastic programming model is proposed to assist qualified operators in long-term generation and transmission expansion planning of electricity and gas systems to meet policy objectives. The…
In the context of energy transition, industrial plants that heavily rely on electricity face more and more price volatility. To continue operating in these conditions, the directors become continually more willing to increase their…
We present a dynamic model for the optimal control problem (OCP) of hydrogen blending into natural gas pipeline networks subject to inequality constraints. The dynamic model is derived using the first principles partial differential…
This paper points out some key drawbacks of today's modeling and control underlying hierarchical electric power system operations and planning as the hidden roadblocks on the way to decarbonization. We suggest that these can be overcome by…