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Da.a.driven discovery of 2D ma.eria.s by deep genera.ive models

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npj Computa.iona. Ma.eria.s 2022年第1期8卷 2218-2225页

作者： peder Lyngby Kristia. Sommer Thygesen Computa.iona. a.omic-sca.e Ma.eria.s Design(Ca.D) Department of PhysicsTechnical University of Denmark2800Kgs.LyngbyDenmark

Efficient a.gorithms to genera.e ca.dida.e crysta. structures with good sta.ility properties ca. pla. a.key role in da.a.driven ma.eria.s ***,we show tha. a.crysta. diffusion va.ia.iona. a.toencoder(CDVa.)is ca.a.le of genera.ing two-dimensiona.(2D)ma.eria.s of high chemica. a.d structura. diversity a.d forma.ion energies mirroring the tra.ning ***,we tra.n the CDVa. on 26152D ma.eria.s with energy a.ove the convex hullΔH_(hull)a.om,a.d genera.e 5003 ma.eria.s tha. we rela. using density functiona. theory(DFT).We a.so genera.e 14192 new crysta.s by systema.ic element substitution of the tra.ning *** find tha. the genera.ive model a.d la.tice decora.ion a.proa.h a.e complementa.y a.d yield ma.eria.s with simila. sta.ility properties but very different crysta. structures a.d chemica. *** tota. we find 11630 predicted new 2D ma.eria.s,where 8599 of these ha.eΔH_(hull)a.om a. the seed structures,while 2004 a.e within 50 meV of the convex hull a.d could potentia.ly be *** rela.ed a.omic structures of a.l the ma.eria.s a.e a.a.la.le in the open Computa.iona. 2D Ma.eria.s Da.a.a.e(C2DB).Our work esta.lishes the CDVa. a. a. efficient a.d relia.le crysta. genera.ion ma.hine,a.d significa.tly expa.ds the spa.e of 2D ma.eria.s.

关键词： crysta. convex sta.ility

The Role of Inertia.a.d Dissipa.ion in the Dyna.ics of the Director for a.Nema.ic Liquid Crysta. Coupled with a. Electric Field

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Communica.ions in Computa.iona. Physics 2015年第6期18卷 147-166页

作者： peder a.rsa.d Joha.na.Ridder Depa.tment of Ma.hema.ica. Sciences Norwegian University of Science and TechnologyNO–7491 TrondheimNorway Depa.tment of Ma.hema.ics University of OsloP.O.Box NO-1053BlindernOslo-0316Norway

We consider the dyna.ics of the director in a.nema.ic liquid crysta. when under the influence of a. a.plied electric *** a. energy va.ia.iona. a.proa.h we derive a.dyna.ic model for the director including both dissipa.ive a.d inertia. forces.a.numerica. scheme for the model is proposed by extending a.scheme for a.rela.ed va.ia.iona. wa.e *** experiments a.e performed studying the rea.ignment of the director field when a.plying a.volta.e difference over the liquid crysta. *** pa.ticula.,we study how the rela.ive strength of dissipa.ive versus inertia. forces influence the time sca.es of the tra.sition between the initia. configura.ion a.d the electrosta.ic equilibrium sta.e.

关键词： Nema.ic liquid crysta.s Freedericksz tra.sition dyna.ics of director fields

Exploring a.d ma.hine lea.ning structura. insta.ilities in 2D ma.eria.s

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npj Computa.iona. Ma.eria.s 2023年第1期9卷 2016-2025页

作者： Simone Ma.ti Ma.k Ka.per Svendsen Nikola. R.Knøsga.rd peder M.Lyngby Kristia. S.Thygesen Ca.D Computational Atomic-Scale Materials DesignDepartment of PhysicsTechnical University of Denmark2800 Kgs.LyngbyDenmark Center for Na.ostructured Gra.hene(CNG) Department of PhysicsTechnical University of DenmarkDK-2800 Kongens LyngbyDenmark

We a.dress the problem of predicting the zero-tempera.ure dyna.ica. sta.ility (DS) of a.periodic crysta. without computing its fullphonon ba.d structure. Here we report the evidence tha. DS ca. be inferred with good relia.ility from the phonon frequencies a.the center a.d bounda.y of the Brillouin zone (BZ). This a.a.ysis represents a.va.ida.ion of the DS test employed by theComputa.iona. 2D Ma.eria.s Da.a.a.e (C2DB). For 137 dyna.ica.ly unsta.le 2D crysta.s, we displa.e the a.oms a.ong a. unsta.lemode a.d rela. the structure. This procedure yields a.dyna.ica.ly sta.le crysta. in 49 ca.es. The elementa.y properties of these newstructures a.e cha.a.terized using the C2DB workflow, a.d it is found tha. their properties ca. differ significa.tly from those of theorigina. unsta.le crysta.s, e.g., ba.d ga.s a.e opened by 0.3 eV on a.era.e. a.l the crysta. structures a.d properties a.e a.a.la.le inthe C2DB. Fina.ly, we tra.n a.cla.sifica.ion model on the DS da.a.for 3295 2D ma.eria.s in the C2DB using a.representa.ion encodingthe electronic structure of the crysta.. We obta.n a. excellent receiver opera.ing cha.a.teristic (ROC) curve with a. a.ea.under thecurve (a.C) of 0.90, showing tha. the cla.sifica.ion model ca. dra.tica.ly reduce computa.iona. efforts in high-throughput studies.

关键词： structure unsta.le structura.

Identifica.ion of non-linea. a.toregressive models with exogenous inputs for room a.r tempera.ure modelling

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能源与人工智能(英文) 2022年第3期9卷 78-87页

作者： Christia. a.kerstjerne Thilker peder Ba.her Da.ide Ca.i Henrik Ma.sen Technica. University of Denma.k Department of Applied Mathematics and Computer ScienceAsmussens AlléBuilding 303BDK-2800 Kgs.LyngbyDenmark

This pa.er proposes non-linea. a.toregressive models with exogenous inputs to model the a.r tempera.ure inea.h room of a.Da.ish school building connected to the loca. district hea.ing network. To obta.n sa.isfa.torymodels, the a.thors find it necessa.y to estima.e the sola. ra.ia.ion effect a. a.function of the time of the da.using a.B-spline ba.is expa.sion. Furthermore, this pa.er proposes a.method for estima.ing the va.ve positionof the ra.ia.or thermosta.s in ea.h room using modified Hermite polynomia.s to ensure monotonicity of theestima.ed curve. The non-linea.ities require a.modifica.ion in the estima.ion procedure: Some pa.a.etersa.e estima.ed in a. outer optimisa.ion, while the usua. regression pa.a.eters a.e estima.ed in a. inneroptimisa.ion. The models a.e a.le to simula.e the tempera.ure 24 h a.ea. with a.root-mea.-squa.e-errorof the predictions between 0.25℃ a.d 0.6℃. The models seem to ca.ture the sola. ra.ia.ion ga.n in a.a. a.igned with expecta.ions. The estima.ed thermosta.ic va.ve functions a.so seem to ca.ture the importa.tva.ia.ions of the individua. room hea. inputs.

关键词： Time series a.a.ysis Non-linea. models District hea.ing Sma.t energy systems

Huma.-driven topogra.hic effects on the distribution of forest in a.fla., lowla.d a.ricultura. region

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Journa. of Geogra.hica. Sciences 2014年第1期24卷 76-92页

作者： Mette V. ODGa.RD peder K. BOCHER Tommy Da.Ga.RD Jesper E. MOESLUND Jens-Christia. SVENNING Depa.tment of a.roecology Aarhus University Blichers AIIe 20 DK-8830 Tjele Denmark Ecoinforma.ics & Biodiversity Group Department of Bioscience Aarhus University Ny Munkegade 114DK-8000 Aarhus C Denmark Depa.tment of Computer Science Aarhus University Abogade 34 DK-8200 Aarhus N Denmark

Complex topogra.hy buffers forests a.a.nst deforesta.ion in mounta.nous regions. However, it is unknown if terra.n a.so sha.es forest distribution in lowla.ds where huma. impa.ts a.e likely to be less constra.ned by terra.n. In such regions, if importa.t a. a.l, to- pogra.hic effects will depend on cultura.-historica. fa.tors a.d thus be huma.-driven （a.- thropogenic） ra.her tha. na.ura., except in regions where the genera. clima.e or extreme soils limit the occurrence of forests. We used spa.ia. regression modeling to a.sess the extent to which topogra.hic fa.tors expla.n forest distribution （presence-a.sence a. a.48x48 m resolu- tion） in a.lowla.d a.ricultura. region （Denma.k, 43,075 km2） a. regiona. a.d la.dsca.e sca.es （whole study a.ea.a.d 10x10 km grid cells, respectively）, how la.dsca.e-sca.e for- est-topogra.hy rela.ionships va.y geogra.hica.ly, a.d which potentia. drivers （topogra.hic heterogeneity, forest cover, cla. content, coa.ta./inla.d loca.ion） determine this geogra.hic heterogeneity. Given a.moist tempera.e clima.e a.d non-extreme soils a.l la.dsca.es in Denma.k would na.ura.ly be la.gely forest covered, a.d a.y topogra.hic rela.ionships will be tota.ly or prima.ily huma.-driven. a. regiona. sca.e, topogra.hic predictors expla.ned only 5% of the distribution of forest. In contra.t, the expla.a.ory power of topogra.hy va.ied from 0%-61% a. la.dsca.e sca.e, with clea. geogra.hic pa.terning. Expla.a.ory power of topog- ra.hy a. la.dsca.e sca.e wa. modera.ely dependent on the potentia. drivers, with topog- ra.hic control being strongest in a.ea. with high topogra.hic heterogeneity a.d little forest cover. However, these conditioning effects were themselves geogra.hica.ly va.ia.le. Our findings show tha. topogra.hy by sha.ing huma. la.d-use ca. a.fect forest distribution even in fla., lowla.d regions, but especia.ly via.loca.ized, geogra.hica.ly va.ia.le effects.

关键词： Europe forest cover geogra.hica.ly weighted regression huma. impa.t la.dsca.e development topogra.hy vegeta.ion distribution.

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RF4CE有何要求

今日电子 2009年第3期 44-45,49页

作者： peder Ra.d 德州仪器公司

消费电子射频（RF4CE）联盟是针对消费类电子产品遥控器的一种协议标准。松下、飞利浦、三星电子和索尼公司组成的企业联盟正在推动这一标准化进程。它们的目标是，通过运用于遥控器的双向RE通信实现高可靠性和众多新颖功能，从而向消... 详细信息

消费电子射频（RF4CE）联盟是针对消费类电子产品遥控器的一种协议标准。松下、飞利浦、三星电子和索尼公司组成的企业联盟正在推动这一标准化进程。它们的目标是，通过运用于遥控器的双向RE通信实现高可靠性和众多新颖功能，从而向消费者提供更多价值。

关键词：消费类电子产品企业联盟协议标准消费电子索尼公司三星电子高可靠性遥控器

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印刷色彩测量

广东印刷 1995年第2期 13-14页

作者： peder Nelson

每个人对颜色的感觉和演译方法都非常主观,而且跟别人不同的原因包括个人偏爱、年龄、眼睛疲劳及某些生理因素等,加上灯光环境的转变,在印刷房中很难准确、重复利用眼睛来控制及演译颜色。当同意运用颜色品质控制标准时,密度仪、色度仪... 详细信息

每个人对颜色的感觉和演译方法都非常主观,而且跟别人不同的原因包括个人偏爱、年龄、眼睛疲劳及某些生理因素等,加上灯光环境的转变,在印刷房中很难准确、重复利用眼睛来控制及演译颜色。当同意运用颜色品质控制标准时,密度仪、色度仪和分光光度仪将是理想的印刷色彩测量仪器,它们能够帮助节省金钱和物料,减低损耗及不合格货品的

关键词：印刷色彩分光光度三刺激值滤色镜仪器密度仪油墨叠印色度仪

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加拿大的MSa.（移动卫星）计划

电信快报 1992年第5期 1-5页

作者： peder.,a.王铮

How Ra.sed Beds a.d Fe-Chela.e a.fect Soybea. Iron Deficiency Chlorosis a.d Yield

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a.ricultura. Sciences 2021年第7期12卷 755-768页

作者： Luca. C. Holmes Ha.s J. Ka.del Gra.t H. Mehring peder K. Schmitz Depa.tment of Pla.t Sciences North Dakota State University Fargo ND USA WestBred Bayer Crop Science Fargo North Dakota USA

Wa.er-logging a.d the ina.ility to ta.e up sufficient iron (Fe), ca.sing iron deficiency chlorosis (IDC) in soybea. (Glycine ma., L. Merr.), ca. be ma.or yield reducing fa.tors in certa.n soils in the northern USa.a.d Ma.itoba. Ca.a.a. soybea. growing regions. The objective of this resea.ch wa. to eva.ua.e soybea. IDC, bioma.s production, a.d yield with seeding on ra.sed beds a.d seed a.plica.ion of the Fe-chela.e compound ortho-ortho-Fe-EDDHa. In six environments, soybea. were seeded on ra.sed beds a.d conventiona.ly prepa.ed seedbeds (fla.) a.d with a.fa.toria. a.ra.gement of five cultiva.s (within a.a.ted ma.urity group 0.1 to 0.9 a.d va.ia.le IDC tolera.ce) a.d seed a.plied Fe-EDDHa.using ra.es of 0 kg·a.>ha.sup>−a.>1 a.d 3.36 kg·a.>ha.sup>−a.>1. There were no significa.t intera.tions between the fa.tors tested. The pla.t popula.ion wa. 27% higher on the ra.sed beds compa.ed with fla., a.d yield wa. 6.3% higher (2893 kg·a.>ha.sup>−a.>1 vs. 2722 kg·a.>ha.sup>−a.>1). Tota. dry pla.t bioma.s on ra.sed beds wa. 9.8% grea.er compa.ed with fla.. The pla.t popula.ion with seed a.plied Fe-EDDHa.wa. 10.6% lower compa.ed with no a.plica.ion. However, the IDC score wa. significa.tly lower 2.2 vs 2.4 (1 = green, 5 = dea.) for Fe-EDDHa.seed a.plica.ion. Yield a.d pla.t bioma.s we

关键词： Soybea. Ra.sed Beds Iron Deficiency Chlorosis Fe-Chela.e