Design and Synthesis of Stimuli-Responsive Polymers with Programmable Cleavability by Zafar, Hadiqa

“…The fifth and final chapter reports the first “mixed” cleavable comonomer approach to degradable polymers towards a polyacrylic acid system optimized for biodegradability. A computational model offers parameters for controlling degradation fragment molecular weight and dispersity that are validated experimentally, and the material performance properties of the homopolymer are retained for its cleavable analog. …”
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Optimising the surveillance and control of communicable diseases: the effects of population heterogeneity on early outbreak transmission dynamics by Lovell-Read, F

“…Here, we use <em>Xylella fastidiosa</em> infection in <em>Olea europaea</em> (European olive) as a current high-profile case study to inform the construction of a computational model of pathogen transmission and surveillance. …”

Understanding Chromatin Organization and Dynamics with Coarse-Grained Modeling by Liu, Shuming

“…Furthermore, chromatin and related proteins can function within condensate environments. Computational modeling provides valuable insights into such complex biological processes. …”
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Revealing Structural and Spin-state Dependent Reactivity of Single Atom Catalysts (SACs) with Systematically Improvable Computational Tools by Jia, Haojun (贾皓钧)

“…However, understanding the relationship between the structure of SAC active sites and their reactivity remains challenging due to the limitations of experimental characterizations. Computational modeling provides atomic-level insights into SAC active site configurations and the impact of the metal's local environment on their properties and catalytic activity. …”
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Actuator disk methods for tidal turbine arrays by Hunter, W

“…The thesis presents a rigorous comparison of the computational model with experimental data with the various correction methods employed.…”

Structural molecular modeling of bacterial integral membrane protein enzymes and their AlphaFold2 predicted water-soluble QTY variants by Sajeev-Sheeja, Akash, Zhang, Shuguang

“…This work leverages public databases PDB, UniProt and open-source software AlphaFold2 and PyMOL to computationally model and analyze QTY variant integral membrane beta-barrel enzyme structures. …”
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Adaptive resource optimization of three-tier web applications running on the cloud by Borhani, Amir Hossein

“…Cloud Computing has been envisioned as a promising approach and dominant computing model in IT infrastructures. It employs the Virtual Machine (VM) technology to provide on-demand provisioning of resources on a pay-as-you-go base. …”
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Target Design and Optimizations for Spent Fuel Transmutation by Tukharyan, Grigor

“…PHITS, a Monte Carlo transport code, is employed to computationally model the interactions between LLFP materials and the proton beam. …”
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Advances in Software Engineering, Education, and e-Learning : Proceedings from FECS'20, FCS'20, SERP'20, and EEE'20 / by International Conference on Frontiers in Education: Computer Science and Computer Engineering + STEM (16th : 2020 : Las Vegas, N.V.), jointly held conference 643292, Arabnia, Hamid, editor 444181, Deligiannidis, Leonidas, editor 643297, Tinetti, Fernando G., editor 643298, Tran, Quoc-Nam, editor 643300, International Conference on Foundations of Computer Science (16th : 2020 : Las Vegas, N.V.), jointly held conference 643301, International Conference on Software Engineering Research and Practice (18th : 2020 : Las Vegas, N.V.), jointly held conference 643302, International Conference on E-Learning, E-Business, Enterprise Information Systems, and E-Government (19th : 2020 : Las Vegas, N.V.), jointly held conference 643303, World Congress in Computer Science, Computer Engineering, & Applied Computing (2020 : Las Vegas, N.V.) 643305

Intelligent agent design for persuading the elderly to adopt a healthy lifestyle by Yu, Xinjia

“…To apply the proposed model in persuasive agent design, an argumentation graph-based method is utilized to map my proposed model into a computational model in agent designs. Based on these contributions, a multi-agent persuasive system is proposed to assist the seniors' adult children to persuade their parents to adopt a healthy lifestyle. …”
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Modeling human-like non-rationality in social agents by Kochanowicz, Jaroslaw Slawomir

“…Despite its great relevance, non-rationality is not yet properly addressed in computational models of social agents. Addressing the above problem, this thesis aims to study how various types of nonrationality can be addressed, described and modeled in the most relevant computational fields. …”
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Efficient techniques for subgraph mining and query processing by Lin, Wenqing

“…We propose a two-step {\em filter-and-refinement} approach that is suitable to massive parallelization within the scalable MapReduce computing model. We partition the collection of graphs among worker nodes, and each worker applies the filter step to determine a set of candidate subgraphs that are {\em locally frequent} in its partition. …”
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Synaptic plasticity in VLSI : a floating-gate approach by Gopalakrishnan, Roshan

“…Neurons and synapses are the major units of a biological neural network that are typically included in computational models; however, recently there has been an increasing focus on studying the role of astrocytes [1, 2] and may be a part of future large scale models. …”
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Computer Supported Cooperative Work and Social Computing : 15th CCF Conference, ChineseCSCW 2020, Shenzhen, China, November 7-9, 2020, Revised Selected Papers / by CCF Conference on Computer Supported Cooperative Work and Social Computing (15th : 2020 : Shenzhen, China), organiser 642953, Sun, Yuqing, editor 642954, Liu, Dongning, editor 642955, Liao, Hao, 1986-, editor 642956, Fan, Hongfei, editor 642957, Gao, Liping, editor 642958

Health monitoring, lifetimes estimation, and thermal management of IGBT-based power converters by Mohamed Halick Mohamed Sathik

“…Therefore, an online computational model of on-state resistance is developed for real-time condition monitoring application to detect device incipient failure in off-the-shelf power converter systems. …”
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