Top Banner
CMT400 APPLICATIONS OF COMPUTER IN CHEMISTRY BORHANNUDDIN ARIFIN FACULTY OF APPLIED SCIENCES UiTM Borhan/CMT400/Jul2010
43
Welcome message from author
This document is posted to help you gain knowledge. Please leave a comment to let me know what you think about it! Share it to your friends and learn new things together.
Transcript
  • CMT400APPLICATIONS OF COMPUTER IN CHEMISTRYBORHANNUDDIN ARIFINFACULTY OF APPLIED SCIENCESUiTMBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • TOPIC 1-INTRODUCTIONWhat is computer?Components of computerTypes of ComputerComputer Software: System and Application SoftwareApplications of Computers in SocietyApplications of Computer in ChemistryGlossary of termsBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • What is a computer?

    Electronic device , operating under the control of instructions that can accept data, process that data, produce results and store the results (information) for further use.Data a collection of unprocessed items including text, numbers, images and soundsInformation data that has been processedBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Advantages of using computers

    Speed very fast speedReliability very dependable and reliableConsistency always produce error-free and same resultsStorage can store very large amount of dataCommunication can share or communicate with another computer or user Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Disadvantages of using computers

    Health risks injuries or disorder of hands, wrists, eyes , neck. Also computer addictionViolation of privacy personal records e.g medical, financial etc are stored in a computer some. What if the records are not properly protectedPublic safety almost everyone is using computer i.e adults, teen children around the whole share video, music, photos, journals and other personal info do not disclose id nos, passwords or other personal security details Impact on labour force skills of millions of employees replaced by computersImpact on environment when computers are discarded in landfills, they can release toxic materials e.g lead, mercury and flame retardantsBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Components of ComputerThere are FIVE components in a computerInput device hardware component that allows the entry of data or instructions into a computerOutput device- conveys information to one or more peopleSystem unit a case that contains the electronic components of a computer that are used to process dataStorage device records and retrieve to and from storage mediaCommunication device enables a computer to send and receive data , instructions and information to and from one or more computers.

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Input devicesKeyboard keys you press to enter dataMouse pointer on screen to make selectionMicrophone -speak into the computerScanner convert printed material (text, pictures) into a form compuetr can use..Web cam digital video camera can create movies or take picturesBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Output devicesThree commonly used devices:Printer produce text, graphicsMonitor display text, graphic, video on screenSpeakers allows you to hear music, voice and other audi (sounds)

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • System UnitA case that contains the electronic components of a computer that are used to process data :Circuitry of the system unit is connected to circuit board known as mother boardTwo components of mother boardCPU (central processing unit) or just processorMemory

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • CPU/MemoryCPU electronic component that interprets and carries out basic instructions that operate the computerMemory - electronic component that store instructionst waiting to be executed and data needed by those instructions. hat operate the computerPermanentTemporary

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Storage devices/mediaComputer keeps data, instructions and information on storage mediaExamples:USB flash drive hold about 4 billion characters (ave)Hard disks 320 billion charactersOptical disks CD (650 million to 1 bill), DVD (17 billion = 2 full length movies) Blu-ray disc (100 bill charac)Memory cards-used in mobile devices such as digital camera transfer photos form memory card to comp or printer

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Communication devicesModem widely usedCommunication occur over CablesTelephone linesCellular radio networksSatellites and other transmission mediaSome communication are wireless e.g satellites and cellular radio networks i.e no physical lines or wires.

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Types of ComputersSupercomputersMainframe computersMinicomputers (also known as mid-rangecomputers)Microcomputers

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Supercomputerthe fastest, most powerful, most expensive; special high-capacity computers used in very large corporationsProcess > one quadrillion instructions per secondWeigh > 100 tonsStore > 20,000 times the data and information of an average desktop computerApplications: complex, sophisticated math calc, large scale simulations; in medicine, aerospace, automotive design, online banking, weather forecasting, nuclear energy research and petroleum explorationBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Mainframe computerLarge expensive powerful computerHandle hundreds or thousands of connected users simulateneouslyStore very amt of data, instructions and infromation.Most corporation use mainframe for business activitiesEnterprises can bill million of customers, prepare payroll for thousands of employees and manage thousands of items in inventory Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • MinicomputersAlso known as mid-range computersThese are refrigerator sized machines used in medium sized companies or departments in large companiesBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • MicrocomputerThere are FOUR types of microcomputer

    Desktop

    Notebook or laptop

    Tablet PC

    Handheld Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Desktop ComputersDesktop computers are small enough to fit on top of or alongside a desk yet are too big to carry aroundBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Notebook or Laptop ComputersNotebook computers, also known as laptop computers, are portable, lightweight, and fit into most briefcasesBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Tablet PCA tablet PC is a type of notebook computer that accepts your handwriting. This input is digitized and converted to standard text that can be further processed by programs such as a word processor.Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • HandheldAre the smallest and are also known as palm computers. These systems typically combine pen input, writing recognition, personal organizational tools, and communications capabilities.Personal digital assistants (PDAs) are the most widely used handheld computer.Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Computer SoftwareSeries of related instructions that tells the computer what tasks to perform and how to perform them. Also known as program.A programmer person who develops software or writes the instructions that direst the computer to process data into informationComplex programs require thousands to millions of instructionsProgrammers use programming language to create programs e.g C++, Java, JavaScript, Visual C++ and Visual Basic.Programmer must make sure the program works properly so that computer generates the desired results.Software often has a graphical user interface (GUI) . Use interacts with software using text, graphics and visula images such as icons.2 types of sofware: system and application

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • System SoftwarePrograms that control the operations of the computer and its devicesTwo types Operating system (OS)Utility programsOperating system a set of programs that coordinate computer resources, provide an interface between users and the computer and run applications. Functions of an operating systemBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Functions of an Operating system(OS)Start and shut down computerProvides a user interface (2 types)GUI (graphical user interface)Command-line interfaceManage programsManage memoryCoordinate tasksConfigure devicesEstablish internet connectionMonitors performanceAdministers securityAnother feature of OS is single user/single tasking, single user/multitasking, multiuse or multiprocessing

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Managing programsSingle user/single tasking OSAllows one user to run one program at a time e.g if you are working on a spreadsheet program and want to check email , you have to quit the spreadsheet program. Single user/multitasking Single user work on two or more programs e.g you can run both spreadsheet and email concurrently. You do not need to quit the spreadsheet program to check emailWhen running multiple programs concurrently, one program is in foreground (the active program), and the others are in the background.Multiuser OS allows two or more users to run programs simultaneously. Networks, servers, mainframes and supercomputers allow hundreds to thousands of users to connect at the same time or multiprocessing

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Managing programsMultiuser OS allows two or more users to run programs simultaneously. Networks, servers, mainframes and supercomputers allow hundreds to thousands of users to connect at the same time Multiprocessing OS supports two or more processors running programs at the same timeA computer with separate processors also serve as a fault-tolerant computer. A fault-tolerant computer continues to operate when one of its components fail ensuring that no data is lost. They have duplicate components i.e processors, memory and disk drives. If one fails it switches to the other . Examples: Airline reservation system, ATM (automated teller machines) and communication networks use fault-tolerant computers

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Categories of Operating SystemsStand-alone works on desktop, notebook or mobile computing deviceServer OS an OS that is designed specifically to support a network Embedded OS that are used for handheld or mobile devices and many consumer electronics e.g smart phones, cable and satelite TV boxes, video games systems . The OS is permanently stored on ROM or read-only memory chips

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Examples of Operating SystemsStand-alone

    Windows (3.x, NT3.1, 95, NT, 98, Millenium, 2000, XP, Vista, 7)Mac OS & Mac OS X multitasking OS run on Apple computersUNIX- multitasking OS developed in 1970sLINUX one version of UNIX an open source software i.e no restriction from copyright holder regarding modification and redistribution of the software

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Examples of Operating SystemsServer OS

    Windows Server (2003, 2008)UNIX many Web servers use UNIX as their OS. Some computer professionals call UNIX as multipurpose OS because it is both a stand alone and server LINUX also a multipurpose OSSolaris aversion of UNIX developed by Sun Microsystems specifically for e-commerce applicationsNetWare designed for client/server networks

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Examples of Operating SystemsEmbedded

    Windows Embedded CEDigital cameras, ATM, portable media players, fuel pumps, navigation devices, ticket machines etcWindows MobileSmart phones, PDA (Personal Digital assistant) etcPalm OSSmart phones and PDAs

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Examples of Operating SystemsEmbedded

    iPhoneOS developed by Apple for iPhone and iPod touch BlackberryRuns on handheld devices supplied by RIM (Research in Motion)Google AndroidDesigned by Google for mobile devicesEmbedded LinuxSmart phones, PDAs, portable media players etcSymbian OSOpen source multitasking OS for smart phones

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • System Software: Utility ProgramsSys software that allows user to perform maintenance-type tasks, usually related to managing a computer, its devices or its programs.Functions provided by Utility programsManaging filesSearching for filesViewing imagesUninstalling programsCleaning up disksDefragmenting disksBacking-up file and disksSetting up screen savers

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • System Software: Utility ProgramsFunctions provided by Utility programsSecuring a computer from unauthorized acces Protection against virusesRemoving spyware and adwareFiltering internet contentCompressing filesPlaying media filesBurning optical disksRecover deleted files?

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Application SoftwareConsists of programs designed to make users more productive and assist them with personal tasksFour categories of application softwaresBusiness to make business activities more efficientGraphics and multimedia to assist with graphics and multimedia projectsHome/personal/educational to support home, personal and educational tasksCommunications to facilitate communications

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Application Software- ExamplesBusinessWord processingSpreadsheetDatabasePresentationNotetakingProject management etcGraphics and multimedia Computer aided design (CAD)Desktop publishing (for Professional)Paint/Image editing (for Professional)Multimedia authoringWeb page authoring

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Application Software- ExamplesHome/personal/educationalDesktop publishing (personal use)Paint/image editing (for Professional)Home design/landscapingClip Art/Image galleryPersonal financeCommunicationsWeb browserE-mailInstant messagingChat roomBloggingVideo conferencing etc

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • 4 Common types of software (MS Office)**Newer version i.e MS Office 2007 has file extension ending with xBorhan/CMT400/Jul2010

    App. SoftwareProgram NameFile extensions**Wood processing(or word processor)Word.doc, .docx(document files)SpreadsheetExcel.xls, xlsx(worksheet files)DatabaseAccess.mdb, accdb(database files)PresentationPower point.ppt, .pptx(presentation files)

    Borhan/CMT400/Jul2010

  • Application of Computers in SocietyEducationFinanceGovernmentHealthcareSciencePublishingTravelManufacturingBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • EducationEducation students use computers and software to assist with learning or take distance learningEducation process of acquiring knowlledge. Traditional model people learn from other people i.e parents, teachers, employersBooks, manuals as learning toolsNow schools equipped with computersDelivery of education through distance learningSome classes are blended; part of learning in classes and the other part in Web

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • FinanceFinance for online banking and online investingCompanies manage their financesBalance checkbooks, paybills, track personal income and expensesManage investmentsEvaluate financial plansOnline investing buy and sell stocks and bondsNow online banking users access account balances, pay bills etc

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • GovernmentGovernment offices have web sites to provide citizens with up-to date information and govt employees use computers as part of their daily routinesMany depts have their own websites providing varieties of services and informationAccess govt websites to file income tax, apply for permits, university applicationBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • HealthcareHealth care to maintain patient records, monitor patients, assists with medical tests and research, correspond with patients, file insurance, provide greater precision during operationsLong distance health careTelemedicineTelesurgery (remote syrgery)Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • ScienceAll branches of science from biology to astronomy to metereology use computers to assist with collecting, analyzing and modelling data and communicate with colleagues around the worldNeural network system that attemots to imitate behaviour of human brainCamera pill small camera swallowed by patient, take pictures inside body to detect cancer and abnormalities Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • PublishingPublishers use computers to assist in designing pages and make the contents of their work available onlineMaking works available to public. These works include books, magazines, newspapers, music, film and videoBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • TravelTravel many vehicles use some type of online navigationsystem to help people more quickly and safely..Order airline tickets on the webUse navigation system eg GPS Check and print directions of a map from the webBorhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Application of Computers in ChemistryMassive computer power is fundamental in tackling grand challenges of science. Supercomputers can create simulations that shed light on aerodynamics, protein structure and chemical mysteriesBusinessWeek June 7, 2004

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

  • Application of Computers in ChemistryIn this course:Excel calculate/graph/interactiveAccess manage databaseVisual basic (VB) design simple applicationChemdraw drawing structuresChem3D calculate molecular properties

    Borhan/CMT400/Jul2010

    Borhan/CMT400/Jul2010

    **There are four types of computersSupercomputers (key term) the most powerful; special high-capacity computers used in very large corporationsMainframe computers (key term) are capable of great processing speed and data storage; occupy specially wired, air-conditioned rooms; insurance companies use to process information about millions of policyholdersMinicomputers (key term) - known as midrange computers (key term), are refrigerator sized machines used in medium sized companies or departments in large companiesMicrocomputers (key term) least powerful but most widely used and fastest-growing type of computersDesktop (key term) Laptop or notebook (key term) Tablet PC (key term) Handheld computers (Key Term)Palm computers (Key Term)Personal digital assistants (PDA) (Key Term)Photos to be replaced.*****