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This study aims to develop surrogate models for accelerating decision making processes associated with carbon capture and storage (CCS) technologies. Selection of sub-surface $CO_2$ storage sites often necessitates expensive and involved…

We apply periodic domain-based local pair natural orbital second-order M{\o}ller--Plesset perturbation theory (DLPNO-MP2) to probe the adsorption energy of CO on MgO(001), the consensus toy model system for surface adsorption. A number of…

Chemical Physics · Physics 2026-01-01 Andrew Zhu , Poramas Komonvasee , Arman Nejad , David P. Tew

Injecting greenhouse gas into deep underground reservoirs for permanent storage can inadvertently lead to fault reactivation, caprock fracturing and greenhouse gas leakage when the injection-induced stress exceeds the critical threshold.…

Computational Engineering, Finance, and Science · Computer Science 2024-10-08 Jungang Chen , Eduardo Gildin , Georgy Kompantsev

Carbon Capture and Storage (CCS) stands as a pivotal technology for fostering a sustainable future. The process, which involves injecting supercritical CO$_2$ into underground formations, a method already widely used for Enhanced Oil…

Machine Learning · Computer Science 2026-05-05 Sofianos Panagiotis Fotias , Vassilis Gaganis

We propose a novel framework for optimizing injection strategies in large-scale CO$_2$ storage combining multi-agent models with multi-objective optimization, and reservoir simulation. We investigate whether agents should form coalitions…

Numerical Analysis · Mathematics 2024-06-13 Per Pettersson , Sebastian Krumscheid , Sarah Gasda

A deep-learning-based surrogate model capable of predicting flow and geomechanical responses in CO2 storage operations is presented and applied. The 3D recurrent R-U-Net model combines deep convolutional and recurrent neural networks to…

Machine Learning · Computer Science 2021-05-05 Meng Tang , Xin Ju , Louis J. Durlofsky

Surrogate strategies are used widely for uncertainty quantification of groundwater models in order to improve computational efficiency. However, their application to dynamic multiphase flow problems is hindered by the curse of…

Machine Learning · Statistics 2019-05-02 Shaoxing Mo , Yinhao Zhu , Nicholas Zabaras , Xiaoqing Shi , Jichun Wu

Deep learning surrogate modeling shows great promise for subsurface flow applications, but the training demands can be substantial. Here we introduce a new surrogate modeling framework to predict CO2 saturation, pressure and surface…

Machine Learning · Computer Science 2024-08-21 Yifu Han , Francois P. Hamon , Louis J. Durlofsky

We investigate the graph-based convolutional neural network approach for predicting and ranking gas adsorption properties of crystalline Metal-Organic Framework (MOF) adsorbents for application in post-combustion capture of $\textrm{CO}_2$.…

Deep Operator Networks are emerging as fundamental tools among various neural network types to learn mappings between function spaces, and have recently gained attention due to their ability to approximate nonlinear operators. In…

Machine Learning · Computer Science 2026-01-15 Beatrice Ceccanti , Mattia Galanti , Ivo Roghair , Martin van Sint Annaland

Combinatorial optimization (CO) is one of the most fundamental mathematical models in real-world applications. Traditional CO solvers, such as Branch-and-Bound (B&B) solvers, heavily rely on expert-designed heuristics, which are reliable…

Machine Learning · Computer Science 2024-07-11 Hongyu Liu , Haoyang Liu , Yufei Kuang , Jie Wang , Bin Li

To combat global warming and mitigate the risks associated with climate change, carbon capture and storage (CCS) has emerged as a crucial technology. However, safely sequestering CO2 in geological formations for long-term storage presents…

Artificial Intelligence · Computer Science 2023-04-20 Yizheng Wang , Markus Zechner , Gege Wen , Anthony Louis Corso , John Michael Mern , Mykel J. Kochenderfer , Jef Karel Caers

Due the alarming rate of climate change, the implementation of efficient CO$_2$ capture has become crucial. This project aims to create an algorithm that predicts the uptake of CO$_2$ adsorbing Metal-Organic Frameworks (MOFs) by using…

Machine Learning · Computer Science 2021-10-13 Mahati Manda

We propose a multi-swarm approach to approximate the Pareto front of general multi-objective optimization problems that is based on the Consensus-based Optimization method (CBO). The algorithm is motivated step by step beginning with a…

Optimization and Control · Mathematics 2022-11-30 Kathrin Klamroth , Michael Stiglmayr , Claudia Totzeck

The increasing CO2 level is a critical concern and suitable materials are needed to capture such gases from the environment. While experimental and conventional computational methods are useful in finding such materials, they are usually…

The multi-period dynamics of energy storage (ES), intermittent renewable generation and uncontrollable power loads, make the optimization of power system operation (PSO) challenging. A multi-period optimal PSO under uncertainty is…

Systems and Control · Electrical Eng. & Systems 2021-07-22 Ren Hu , Qifeng Li

Low-carbon dispatchable power underpins a sustainable energy system, providing load balancing complementing wide-scale deployment of intermittent renewable power. In this new context, fossil fuel-fired power plants must be coupled with a…

Systems and Control · Electrical Eng. & Systems 2024-02-15 Steven Sachio , Adam Ward , Ronny Pini , Maria M. Papathanasiou

This study aims to provide a comprehensive assessment of single-objective and multi-objective optimisation algorithms for the design of an elbow-type draft tube, as well as to introduce a computationally efficient optimisation workflow. The…

Optimization and Control · Mathematics 2024-01-18 Ante Sikirica , Ivana Lučin , Marta Alvir , Lado Kranjčević , Zoran Čarija

We propose novel particle swarm optimization (PSO) variants incorporated with deep neural networks (DNNs) for particles to pursue globally optimal positions in dynamic environments. PSO is a heuristic approach for solving complex…

Neural and Evolutionary Computing · Computer Science 2026-04-16 Stephen Raharja , Toshiharu Sugawara

Terahertz communication networks and intelligent reflecting surfaces exhibit significant potential in advancing wireless networks, particularly within the domain of aerial-based multi-access edge computing systems. These technologies enable…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-20 Jianqiu Wu , Zhongyi Yu , Jianxiong Guo , Zhiqing Tang , Tian Wang , Weijia Jia
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