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The Open Quantum Materials database (OQMd): assessing the accuracy of dFT formation energies

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npj Computational Materials 2015年第1期1卷 15-29页

作者： Scott Kirklin James E Saal Bryce Meredig Alex thompson jeff W doak Muratahan Aykol Stephan Rühl Chris Wolverton department of Materials Science and Engineering Northwestern UniversityEvanstonILUSA FIZ Karlsruhe—Leibniz Institute for Information Infrastructure Eggenstein-LeopoldshafenGermany

The Open Quantum Materials database(OQMd)is a high-throughput database currently consisting of nearly 300,000 density functional theory(dFT)total energy calculations of compounds from the Inorganic Crystal Structure database(ICSd)and decorations of commonly occurring crystal *** maximise the impact of these data,the entire database is being made available,without restrictions,at ***/*** this paper,we outline the structure and contents of the database,and then use it to evaluate the accuracy of the calculations therein by comparing dFT predictions with experimental measurements for the stability of all elemental ground-state structures and 1,670 experimental formation energies of *** represents the largest comparison between dFT and experimental formation energies to *** apparent mean absolute error between experimental measurements and our calculations is 0.096 eV/*** order to estimate how much error to attribute to the dFT calculations,we also examine deviation between different experimental measurements themselves where multiple sources are available,and find a surprisingly large mean absolute error of 0.082 eV/***,we suggest that a significant fraction of the error between dFT and experimental formation energies may be attributed to experimental ***,we evaluate the stability of compounds in the OQMd(including compounds obtained from the ICSd as well as hypothetical structures),which allows us to predict the existence of~3,200 new compounds that have not been experimentally characterised and uncover trends in material discovery,based on historical data available within the ICSd.

关键词： Quantum dFT Open

Analysis of a Class of Symmetric Equilibrium Configurations for a Territorial Model

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Numerical Mathematics(Theory,Methods and Applications) 2010年第2期3卷 143-161页

作者： Michael Busch jeff Moehlis department of Mechanical Engineering University of California

Motivated by an animal territoriality model,we consider a centroidal Voronoi tessellation algorithm from a dynamical systems *** doing so,we discuss the stability of an aligned equilibrium configuration for a rectangular domain that exhibits interesting symmetry *** also demonstrate the procedure for performing a center manifold reduction on the system to extract a set of coordinates which capture the long term dynamics when the system is close to a *** of the system restricted to the center manifold are then classified and compared to numerical *** we analyze a specific set-up,these methods can in principle be applied to any bifurcation point of any equilibrium for any domain.

关键词： Territorial behavior Voronoi tessellations bifurcation center manifold reduction.

A Writing Rubric for Chinese University EFL Students

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Chinese Journal of Applied Linguistics 2013年第2期36卷 183-194,287页

作者： jeff thompson 北京外国语大学英语学院

The author conducted a one-semester action research project by creating and implementing an 8-page, approximately 150-item writing rubric to enhance teacher-student feedback for first- year Chinese English as a Foreign Language writing students at the university level. At the end of the semester, students answered multiple-choice questions and provided written responses to questions about the rubric. Students＇ surveys indicated that the rubric could help students learn how to improve content, organization, language and style, grammar, and mechanics when writing expository essays. Also, students indicated that they preferred shorter rubrics for each expository essay style that they encountered in the semester.

关键词： Chinese rubric students university writing

Epigenetic modulation in sensitizing metastatic sarcomas to therapies and overcoming resistance

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Cancer drug Resistance 2022年第1期5卷 25-35页

作者： jeff Rytlewski Qierra R.Brockman Rebecca d.dodd Mohammed Milhem Varun Monga department of Internal Medicine University of IowaIowa CityIA 52242USA Holden Comprehensive Cancer Center University of IowaIowa CityIA 52242USA

Sarcomas are a class of rare malignancies of mesenchymal origin with a heterogeneous histological *** are classically associated with poor outcomes,especially once metastasized.A path to improving clinical outcomes may be made through modifying the epigenome,where a variety of sarcomas demonstrate changes that contribute to their oncogenic *** Perspective article identifies and describes changes in the sarcoma genome,while discussing specific epigenetic changes and their effect on clinical *** attempts at modulating epigenetics in sarcoma are reviewed,as well as potential implications of these *** targets to reverse and delay chemotherapy resistance are *** directions with primary next steps are proposed to invigorate the current understanding of epigenetic biomarkers to enact targeted therapies to epigenetic phenotypes of sarcoma *** to prior studies,as well as proposed clinical steps,are also addressed.

关键词： Epigenetics sarcoma resistance metastasis

Editorial for Special Issue on Commonsense Knowledge and Reasoning:Representation,Acquisition and Applications

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Machine Intelligence Research 2024年第2期21卷 215-216页

作者： Kang Liu Yangqiu Song jeff Z.Pan Institute of Automation Chinese Academy of SciencesChina Hongkong University of Science and Technology China The University of Edinburgh UK

Commonsense knowledge is an important resource for humans to understand the meanings or semantics of the *** ability to learn and own commonsense knowledge is one of the major gaps between humans and *** recent research progresses about deep learning,like Transformer,pre-trained models,etc.,have made amazing breakthroughs in many fields,including computer version,natural language learning,etc.,letting the machines have rich commonsense knowledge and possess the reasoning ability is still difficult and under-resolved.

关键词： own let breakthrough

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胡敏读故事记单词考研英语词汇光盘版 2

Investigation of Taylor-Gortler-like Vortices Using the Parallel Consistent Splitting Scheme

丛书名：新航道学校读故事记单词系列丛书

2006年

作者：胡敏 jeff Cheap Julie Baecker Ben thompson 李立新卢琳译

本书收录的所有单词分组后被编写成单独的小故事，故事的编写力求趣味性、可读性强，并注重语言地道，致力于学生通过阅读故事记忆单词从而提高记忆效率。

ISBN: (纸本)7504346233

关键词：英语研究生记忆术词汇入学考试

来源：畅想之星图书光盘版（南... 评论

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Advances in Applied Mathematics and Mechanics 2009年第6期1卷 799-815页

作者： Yong Hong Kuo Kawi-Lam Wong jeff Chak-Fu Wong The Joint Institute for Computational Sciences University of Tennessee/Oak Ridge National LaboratoryBuilding 5100RM 209Mail Stop 6013Bethel Valley RoadP.O.Box 2008 Oak RidgeTN 37831-6013 department of Mathematics Room 220Lady Shaw BuildingThe Chinese University of Hong KongShatinHong KongChina

Symmetric Taylor-Gortler-like vortices at Re=3200 and 5000 in 3d rectangular cavities with a moving top lid are studied numerically and tested with a spanwise aspect ratio of 1:1:L,where L=1,2,*** are obtained by solving the momentum equations and the continuity equations using the consistent splitting *** code presented here was ported to the Parallel Interoperable Computational Mechanics System Simulator(PICMSS).Stable solutions are obtained as limit cases of the transients.

关键词： Mixed finite element consistent splitting scheme PICMSS

Assessment of handheld mobile terrestrial laser scanning for estimating tree parameters

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Journal of Forestry Research 2021年第4期32卷 1503-1513页

作者： Cornelis Stal jeff rey Verbeurgt Lars de Sloover Alain de Wulf Center for Applied data Science University College GhentValentin Vaerwyckweg 19000 GhentBelgium department of Geography 3D Data Acquisition Research UnitGhent UniversityKrijgslaan 2819000 GhentBelgium department of Geography CartoGIS Research UnitGhent UniversityKrijgslaan 2819000 GhentBelgium

Sustainable forest management heavily relies on the accurate estimation of tree *** others,the diameter at breast height(dBH) is important for extracting the volume and mass of an individual *** systematically estimating the volume of entire plots,airborne laser scanning(ALS) data are *** estimation model is frequently calibrated using manual dBH measurements or static terrestrial laser scans(STLS) of sample *** reliable,this method is time-consuming,which greatly hampers its ***,a handheld mobile terrestrial laser scanning(HMTLS) was demonstrated to be a useful alternative technique to precisely and efficiently calculate *** data acquisition techniques were applied at a sample plot,then the resulting parameters were comparatively *** calculated dBH values were comparable to the manual measurements for HMTLS,STLS,and ALS data *** the comparability of the extracted parameters,with a reduced point density of HTMLS compared to STLS data,and the reasonable increase of performance,with a reduction of acquisition time with a factor of5 compared to conventional STLS techniques and a factor of3 compared to manual measurements,HMTLS is considered a useful alternative technique.

关键词： Forest inventory dBH Airborne laser scanning Terrestrial laser scanning Handheld mobile laser scanning Point cloud processing

Electrospinning as a route to advanced carbon fibre materials for selected low-temperature electrochemical devices:A review

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Journal of Energy Chemistry 2021年第8期30卷 492-529,I0011页

作者： Yue Wen Matt d.R.Kok Jorge Pavel Victoria Tafoya Ana BJorge Sobrido Ellsworth Bell jeff T.Gostick Servann Herou Philipp Schlee Maria-Magdalena Titirici dan J.L.Brett Paul R.Shearing Rhodri Jervis The Electrochemical Innovation Lab Dept.of Chemical EngineeringUniversity College LondonTorrington PlaceWC1E 7JE LondonUK Queen Mary University of London School of Engineering and Materials ScienceMile End RoadE14NS LondonUK department of Chemical Engineering University of WaterlooWaterlooCanada department of Chemical Engineering Imperial College LondonSouth Kensington CampusSW72AZ LondonUK

Electrospinning has been proven as a highly versatile fabrication method for producing nano-structured fibres with controllable morphology,of both the fibres themselves and the void structure of the ***,it is possible to use heteroatom doped polymers or to include catalytic precursors in the electrospinning solution to control the surface properties of the *** factors make it an ideal method for the production of electrodes and flow media for a variety of electrochemical devices,enabling reduction in mass transport and activation overpotentials and therefore increasing ***,the use of biomass as a polymer source has recently gained attention for the ability to embed sustainable principles in the materials of electrochemical devices,complementing their ability to allow an increase in the use of renewable electricity via their *** this review,the historical and recent developments of electrospun materials for application in redox flow batteries,fuel cells,metal air batteries and supercapacitors are thoroughly reviewed,including an overview of the electrospinning process and a guide to best ***,we provide an outlook for the emerging use of this process in the field of electrochemical energy devices with the hope that the combination of tailored microstructure,surface functionality and computer modelling will herald a new era of bespoke functional materials that can significantly improve the performance of the devices in which they are used.

关键词： Electrospinning Redox flow batteries Fuel cells Metal-air batteries Supercapacitors