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A numerical procedure for model reduction using the generalized Langevin equation formalism [article]

Abhishek Mukhopadhyay, Jianhua Xing
2013 arXiv   pre-print
We suggest that the procedure can be applied in model reduction and a novel way of nonlinear time series analysis.  ...  Recently Xing and Kim used the pro jection formalism and derived the generalized Langevin equations (GLEs) for a general stochastic system not necessarily obeying detailed balance.  ...  In this work we focus on model reduction. Since the data needed for reconstruction is in the form of time series, the procedure can be used as a way of nonlinear time series analysis [18, 19] .  ... 
arXiv:1304.4908v1 fatcat:6pqqu5ipnjgwzmgucvx6pfeliu

Bacterial genome reductions: Tools, applications, and challenges

Nicole LeBlanc, Trevor C. Charles
2022 Frontiers in Genome Editing  
Computational tools have been created in attempts at minimizing the time needed to design these organisms, but gaps still exist in modelling these reductions in silico.  ...  Genomic reductions are a promising avenue for improving the production of value-added products, constructing chassis cells, and for uncovering cellular function but are currently limited by their time-consuming  ...  Based on both experimental data and computational models, online databases of the essential genes for various species have been created.  ... 
doi:10.3389/fgeed.2022.957289 pmid:36120530 pmcid:PMC9473318 fatcat:yyszmtgkdvcqrnepvov7fkodji

A high throughput optical method for studying compositional effects in electrocatalysts for CO2 reduction

Jeremy L Hitt, Yuguang C Li, Songsheng Tao, Zhifei Yan, Yue Gao, Simon J L Billinge, Thomas E Mallouk
2021 Nature Communications  
This results in high Faradaic efficiency for CO2 reduction to CO.  ...  Tafel plots of electrochemical data for CO2 reduction and hydrogen evolution indicate that the ternary catalysts, despite their higher surface area, are poorer catalysts for the hydrogen evolution reaction  ...  Enabling a high-throughput method for CO 2 RR electrocatalyst discovery can be an important step toward establishing a reliable database for the study and prediction of new materials 27, 28 .  ... 
doi:10.1038/s41467-021-21342-w pmid:33602912 fatcat:zudghio255dk7dx45plhnx6w44

Electrochemical ammonia synthesis via nitrate reduction on Fe single atom catalyst

Zhen-Yu Wu, Mohammadreza Karamad, Xue Yong, Qizheng Huang, David A. Cullen, Peng Zhu, Chuan Xia, Qunfeng Xiao, Mohsen Shakouri, Feng-Yang Chen, Jung Yoon Kim, Yang Xia (+7 others)
2021 Nature Communications  
AbstractElectrochemically converting nitrate, a widespread water pollutant, back to valuable ammonia is a green and delocalized route for ammonia synthesis, and can be an appealing and supplementary alternative  ...  Density functional theory calculations reveal the reaction mechanisms and the potential limiting steps for nitrate reduction on atomically dispersed Fe sites.  ...  Acknowledgements This work was supported by Rice University, the National Science Foundation Nanosystems Engineering Research Center for Nanotechnology Enabled Water Treatment (NEWT EEC 1449500), and the  ... 
doi:10.1038/s41467-021-23115-x pmid:34001869 fatcat:vjajw6rydjduhjmop25rcy7h54

Transition metal-based catalysts for the electrochemical CO2 reduction: from atoms and molecules to nanostructured materials

Federico Franco, Clara Rettenmaier, Hyo Sang Jeon, Beatriz Roldan Cuenya
2020 Chemical Society Reviews  
An overview of the main strategies for the rational design of transition metal-based catalysts for the electrochemical conversion of CO2, ranging from molecular systems to single-atom and nanostructured  ...  Notes and references  ...  -SPP 2080 and SFB 1316, subproject B1, as well as Germany's Excellence Strategy -EXC 2008/1 (UniSysCat) -390540038.  ... 
doi:10.1039/d0cs00835d pmid:32840269 fatcat:23bvf3nhazaxpik4yd4rwpxaqa

Unravelling Reaction Pathways on N-substituted Carbon Catalysts during the Electrochemical Reduction of Nitrate to Ammonia

Zheng Chen, Jianhong Chen, Giovanni Barcaro, Tetyana Budnyak, Anna Rokicinska, Richard Dronskowski, Serhiy Budnyk, Piotr Kuśtrowski, Susanna Monti, Adam Slabon
2022 Catalysis science & technology  
Electrochemical reduction of nitrate into ammonia is one potential strategy to valorize pollutants needed to close the nitrogen cycle.  ...  Acknowledgements Notes and references  ...  This synergistic combination of all the experimental techniques and computational modeling can be used effectively for careful design of efficient carbon-based catalysts for the electrochemical NO 3 −  ... 
doi:10.1039/d2cy00050d fatcat:4sylx2gwxrdvzkp2vxresmjhqi

Morphology and reduction kinetics of fluxed iron ore pellets

S. Prakash, M.C. Goswami, A.K.S. Mahapatra, K.C. Ghosh, S.K. Das, A.N. Sinha, K.K. Mishra
2000 Ironmaking & steelmaking  
A scan of the internal and external environment is an important part of the strategic planning process.  ...  It is a tool for auditing an organisation and its environment and is the first stage of planning on key issues.  ...  On the basis of the requirement two parties were selected one for data processing & the other for computer aided design & graphics.  ... 
doi:10.1179/030192300677480 fatcat:k3xizpudbrao5cxyfwl6unksmm

Reaction pathways on N-substituted carbon catalysts during the electrochemical reduction of nitrate to ammonia

Zheng Chen, Jianhong Chen, Giovanni Barcaro, Tetyana M. Budnyak, Anna Rokicińska, Richard Dronskowski, Serhiy Budnyk, Piotr Kuśtrowski, Susanna Monti, Adam Slabon
2022 Catalysis science & technology (2022). doi:10.1039/d2cy00050d  
The understanding of carbonaceous materials as metal-free representatives of electrocatalysts is of high importance to ensure sufficient activity and target selectivity.  ...  theoretical studies based on multi-scale/level calculations.  ...  Acknowledgements Notes and references  ... 
doi:10.18154/rwth-2022-05009 fatcat:s7amrw65xbentdof3ugks74o4y

Parallel Histories of Horizontal Gene Transfer Facilitated Extreme Reduction of Endosymbiont Genomes in Sap-Feeding Insects

Daniel B. Sloan, Atsushi Nakabachi, Stephen Richards, Jiaxin Qu, Shwetha Canchi Murali, Richard A. Gibbs, Nancy A. Moran
2014 Molecular biology and evolution  
These results show that horizontal gene transfer is an important and recurring mechanism driving coevolution between insects and their bacterial endosymbionts and highlight interesting similarities and  ...  To understand the host's role in this extreme gene loss, we analyzed gene content and expression in the nuclear genome of the psyllid Pachypsylla venusta, a sap-feeding insect that harbors an ancient endosymbiont  ...  They acknowledge the Yale Center for Genome Analysis and the Baylor College of Medicine Human Genome Sequencing Center library construction and sequencing teams.  ... 
doi:10.1093/molbev/msu004 pmid:24398322 pmcid:PMC3969561 fatcat:pqyndox2cze3taucx6citqblba

The future of computing beyond Moore's Law

John Shalf
2020 Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences  
This article is part of a discussion meeting issue 'Numerical algorithms for high-performance computational science'.  ...  driver that has underpinned Moore's Law for 50 years is failing and is anticipated to flatten by 2025.  ...  University for productive discussions about the vision for the future of computing.  ... 
doi:10.1098/rsta.2019.0061 pmid:31955683 fatcat:owfzyphqizdyrhkjc2exnynvzq

Reduction of Genetic Variation When Far From the Niche Centroid: Prediction for Mangrove Species

Maried Ochoa-Zavala, Luis Osorio-Olvera, Ivania Cerón-Souza, Elsie Rivera-Ocasio, Vania Jiménez-Lobato, Juan Núñez-Farfán
2022 Frontiers in Conservation Science  
They showed significant power in predicting the observed data (R2 = 0.65 for Ho; R2 = 0.60 for He), even when we considered independent data sets (R2= 0.28 for Ho; R2 = 0.25 for He).  ...  Empirical evidence based on abundance and, more recently, genetic diversity data support this hypothesis.  ...  R: A Language and Environment for Statistical Computing . Available Online at: https://www.r-project.org Rabinowitz, D. (1981).  ... 
doi:10.3389/fcosc.2021.795365 fatcat:vmbbzhjuijhdpdibgvujgcrmwm

Reductive Modification of Carbon Nitride Structure by Metals—The Influence on Structure and Photocatalytic Hydrogen Evolution

Emilia Alwin, Robert Wojcieszak, Kamila Kočí, Miroslava Edelmannová, Michał Zieliński, Agata Suchora, Tomasz Pędziński, Mariusz Pietrowski
2022 Materials  
of g-C3N4, and the contribution of nitrogen bound to the amino and imino groups.  ...  A reduction of these photocatalysts with hydrogen causes several changes, such as a significant increase in the specific surface area, a C/N atomic ratio, a number of defects in the crystalline structure  ...  XPS Analysis X-ray photoelectron spectroscopy is an extremely useful technique for the advanced characterization of g-C 3 N 4 materials [28, 38] .  ... 
doi:10.3390/ma15030710 pmid:35160664 pmcid:PMC8836795 fatcat:sdqflmr2hne2faqoj4svr5uhbq

Data Motifs: A Lens Towards Fully Understanding Big Data and AI Workloads [article]

Wanling Gao, Jianfeng Zhan, Lei Wang, Chunjie Luo, Daoyi Zheng, Fei Tang, Biwei Xie, Chen Zheng, Xu Wen, Xiwen He, Hainan Ye, Rui Ren
2018 arXiv   pre-print
We believe the eight data motifs are promising abstractions and tools for not only big data and AI benchmarking, but also domain-specific hardware and software co-design.  ...  We implement the eight data motifs on different software stacks as the micro benchmarks of an open-source big data and AI benchmark suite ---BigDataBench 4.0 (publicly available from http://prof.ict.ac.cn  ...  Also, identifying abstractions of time-consuming units of computation is an important step toward domain-specific hardware and software co-design.  ... 
arXiv:1808.08512v1 fatcat:4tmagnlfmvfbfj2kwqpdujfcbu

A second golden age of aeroacoustics?

S. K. Lele, J. W. Nichols
2014 Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences  
While the sheer scale of the data generated by large-scale simulations will require new methods for data analysis and data visualization, it is our view that suitable theoretical formulations and reduced  ...  This review traces the progress in large-scale computations to resolve the noise-source processes and the methods devised to predict the far-field radiated sound using this information.  ...  Computer resources provided by the DoD HPC challenge programme and the NSF MURI (certainty) are deeply appreciated.  ... 
doi:10.1098/rsta.2013.0321 pmid:25024417 fatcat:vi65p3wu4bat7d3fffvftvbvlq

Studies in Reduction-Roast Leaching Ion Exchange of Copper Converter Slag from an Indian Copper Complex, Ghatshila

M. G. Bodas, S. B. Mathur
1997 Industrial & Engineering Chemistry Research  
A scan of the internal and external environment is an important part of the strategic planning process.  ...  It is a tool for auditing an organisation and its environment and is the first stage of planning on key issues.  ...  On the basis of the requirement two parties were selected one for data processing & the other for computer aided design & graphics.  ... 
doi:10.1021/ie970222e fatcat:ets4l3huu5gmnhxnita4j5ggga
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