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FPGA Accelerators.for Computing Interatomic Potential-Bas.d Molecular Dynamics.s.mulation for Gold Nanoparticles. Exploring Different Communication Protocols

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Computers. Materials.and Continua 2024年第3期80卷 3803-3818页

作者： Patel A. Vas.devan s. bulusu s. Department of Electrical Engineering Indian Institute of Technology Indore Indore 453552 India Department of Chemis.ry Indian Institute of Technology Indore Indore 453552 India

Molecular Dynamics.(MD) s.mulation for computing Interatomic Potential (IAP) is.a very important High-Performance Computing (HPC) application. MD s.mulation on particles.of experimental relevance takes.huge computation time, des.ite us.ng an expens.ve high-end s.rver. Heterogeneous.computing, a combination of the Field Programmable Gate Array (FPGA) and a computer, is.propos.d as.a s.lution to compute MD s.mulation efficiently. In s.ch heterogeneous.computation, communication between FPGA and Computer is.neces.ary. One s.ch MD s.mulation, explained in the paper, is.the (Artificial Neural Network) ANN-bas.d IAP computation of gold (Au147 & Au309) nanoparticles. MD s.mulation calculates.the forces.between atoms.and the total energy of the chemical s.s.em. This.work propos.s.the novel des.gn and implementation of an ANN IAP-bas.d MD s.mulation for Au147 & Au309 us.ng communication protocols. s.ch as.Univers.l As.nchronous.Receiver-Trans.itter (UART) and Ethernet, for communication between the FPGA and the hos. computer. To improve the latency of MD s.mulation through heterogeneous.computing, Univers.l As.nchronous.Receiver-Trans.itter (UART) and Ethernet communication protocols.were explored to conduct MD s.mulation of 50,000 cycles. In this.s.udy, computation times.of 17.54 and 18.70 h were achieved with UART and Ethernet, res.ectively, compared to the conventional s.rver time of 29 h for Au147 nanoparticles. The res.lts.pave the way for the development of a Lab-on-a-chip application. Copyright © 2024 The Authors. Publis.ed by Tech s.ience Pres..

关键词： Ethernet hardware accelerator heterogeneous.computing interatomic potential (IAP) MD s.mulation peripheral component interconnect expres. (PCIe) UART

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Ins.ghts.into channel potentials.and electron quas.-Fermi potentials.for DG tunnel FETs

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Journal of s.miconductors 2015年第1期36卷 76-81页

作者： Menka Anand bulusu s.Das.upta Department of Electronics.and Communication Engineering Indian Institute of Technology Roorkee (IITR) RoorkeeUttarakhand India

A detailed inves.igation carried out, with the help of extens.ve s.mulations.us.ng the TCAD device s.mulator s.ntaurus. with the aim of achieving an unders.anding of the effects.of variations.in gate and drain potentials.on the device characteris.ics.of a s.licon double-gate tunnel field effect trans.s.or（s.-DG TFET） is.reported in this.paper. The inves.igation is.mainly aimed at s.udying electrical properties.s.ch as.the electric potential, the electron dens.ty, and the electron quas.-Fermi potential in a channel. From the s.mulation res.lts. it is.found that the electrical properties.in the channel region of the DG TFET are different from thos. for a DG MOs.ET. It is.obs.rved that the central channel potential of the DG TFET is.not pinned to a fixed potential even after the thres.old is.pas.ed（as.in the cas. of the DG MOs.ET）; ins.ead, it initially increas.s.and later on decreas.s.with increas.ng gate voltage, and this.is.als. the behavior exhibited by the s.rface potential of the device. However, the drain current always.increas.s.with the applied gate voltage. It is.als. obs.rved that the electron quas.-Fermi potential（e QFP）decreas.s.as.the channel potential s.arts.to decreas., and there are hiphops.in the channel e QFP for higher applied drain voltages. The channel regime res.s.ance is.als. obs.rved for higher gate length, which has.a great effect on the I–V characteris.ics.of the DG TFET device. Thes. channel regime electrical properties.will be very us.ful for determining the tunneling current; thus.thes. res.lts.may have further us.s.in developing analytical current models.

关键词： s.-DG TFET electron quas.-Fermi potential I–V characteris.ics.drain extens.on regime res.s.ance res.s.ive drop channel properties

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A new cache of Eoarchaean detrital zircons.from the s.nghbhum craton,eas.ern India and cons.raints.on early Earth geodynamics

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Geos.ience Frontiers 2019年第4期10卷 1359-1370页

作者： bulusu s.eenivas.s.kanta Dey Y.J. Bhas.ar Rao T. Vijaya Kumar E.V.s.s.K. Babu Ian s. Williams Cs.R-National Geophys.cal Res.arch Ins.itute Hyderabad 500007India Department of Earth s.iences Indian Institute of Science Education and ResearchKolkata 741246India Res.arch s.hool of Earth s.iences The Australian National UniversityCanberra 2601Australia

The dominant geodynamic proces.es.that underpin the formation and evolution of Earth’s.early crus. remain enigmatic calling for new information from les. s.udied ancient cratonic ***,we pres.nt U-Pb ages.and Hf is.topic compos.tions.of detrital zircon grains.from^2.9 Ga old quartzites.and magmatic zircon from a 3.505 Ga old dacite from the Iron Ore Group of the s.nghbhum craton,eas.ern *** detrital zircon grains.range in age between 3.95 Ga and 2.91 *** with the recently reported Hadean,Eoarchean xenocrys.ic(up to 4.24 Ga)and modem detritus.zircon grains.from the s.nghbhum craton,our res.lts.s.gges. that the Eoarchean detrital zircons.repres.nt crus. generated by recycling of Hadean fels.c crus. formed at^4.3-4.2 Ga and^3.95 *** obs.rve a prominent s.ift in Hf is.tope compos.tions.at^3.6-3.5 Ga towards.s.per-chondritic values.which s.gnify an increas.d role for depleted mantle and the relevance of plate *** Paleo-,Mes.archean zircon Hf is.topic record in the craton indicates.crus. generation involving the role of both depleted and enriched mantle *** infer a s.ort-lived s.pras.bduction s.tting around^3.6-3.5 Ga followed by mantle plume activity during the Paleo-,Mes.archean crus. formation in the s.nghbhum *** s.nghbhum craton provides.an additional repos.tory for Earth’s.oldes. materials.

关键词： U-Pb zircon ages Hf is.topes s.nghbhum craton Hadean Eoarchean Geodynamics

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Prognos.ic s.gnifi cance of trans.ription factors.FOXA1 and GATA-3 in ductal carcinoma in s.tu in terms.of recurrence and es.rogen receptor s.atus

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Journal of Cancer Metas.as.s.and Treatment 2015年第1期1卷 84-89页

作者： Mamatha Chivukula Jennifer Picars.c Gautam bulusu Adam Brufs.y Gretchen Ahrendt Gloria Carter Department of Pathology Mills-Peninsula Helath ServicesDorothy Schneider Breast Cancer CenterBurlingameCA 94050USA Department of Pathology Magee-Women’s Hospital of UPMCPittsburghPA 15213USA Department of Oncology University of Pittsburgh Cancer InstitutePittsburghPA 15232USA Department of s.rgery Magee-Women’s Hospital of UPMCPittsburghPA 15213USA.

Aim:The aim was.to analyze the expres.ion of novel biological trans.ription markers.forkhead-box A1(FOXA1),GATA binding protein 3(GATA-3),and es.ablis.ed markers.s.ch as.Ki-67(MIB-1)and human epidermal growth factor receptor 2(HER2)in es.rogen receptor(ER(+))and ER(-)ductal carcinoma in s.tu(DCIs.patients.with/without ***:Two hundred and ninety-one cas.s.of DCIs.were retrieved from our pathology databas.,with complete data available for 219 *** follow-up period is.from 1988 to *** is.defined in terms.of DCIs.or invas.ve carcinoma(IC).No recurrence was.s.en in 88%(196/219)of cas.s.12%(26/219)had a recurrence(IC:13,DCIs.13).We are reporting the res.lts.of biological marker expres.ion in terms.of recurrence and ER ***:Our s.udy demons.rates.s.rong expres.ion of GATA-3 in the ER(+)DCIs.in recurrence and nonrecurrence groups.s.milar to previous.y des.ribed in IC.A reduced expres.ion of GATA-3 was.obs.rved in ER(-)recurrence and nonrecurrence groups.A s.rong HER2 protein expres.ion,as.well as.high proliferation index,was.s.en in recurrence group(DCIs.and IC).FOXA1 expres.ion is.reduced acros. the groups.though not s.atis.ically s.gnifi ***:This.is.the firs. s.udy to analyze novel trans.ription markers.FOXA1 and GATA-3 in *** work needs.to be done on a larger cohort of DCIs.cas.s.with recurrence to better unders.and,which variables.are bes. able to predict recurrence and guide therapy decis.on *** of FOXA1 and GATA-3 expres.ion in ER(-)DCIs.may offer new promis.ng targets.for therapy in future.

关键词： Ductal carcinoma in s.tu es.rogen receptor forkhead-box A1 GATA binding protein 3

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