Introduction to Computer Systems and Applications in Chemistry PDF

**[Introduction to Computer Systems and Applications in the Chemistry Field]** **[Computer System:]** A computer system is a set of integrated devices that input, output, process, and store data and information. The computer system has two main components that make a computer system. These are: Har...

**[Introduction to Computer Systems and Applications in the Chemistry Field]** **[Computer System:]** A computer system is a set of integrated devices that input, output, process, and store data and information. The computer system has two main components that make a computer system. These are: Hardware and Software **[Hardware]** The physical parts of the computer system (electronic and mechanical parts), physical parts cannot do any work by themselves. Certain programs are needed to do some work. **[Software]** Software is a set of instructions, programs, and applications used with a physical computer to perform some tasks on a computer system. Such as MS office, Chem office, Chem Draw\... etc.  Graphical user interface, application Description automatically generated **[Basic Applications of Computers in Chemistry]** There are two types of applications: - Interfacing: A computer is connected to an instrument for data collection - Software applications: Data analysis, simulation, structural searching, modeling, drug design, etc.  Using computers in the field of chemistry, enables the classification and documentation of structures, substructures, and reactions, the prognosis of reaction products, the design of syntheses, the construction of networks of mechanistic and synthetic pathways, and the prediction of chemical reactions. **[Computers are used in different fields of study chemistry:]** Some examples of computer software in chemistry classroom teaching. This software includes PowerPoint, Chemoffice, computer simulation software, Lab VIEW software, some computational chemistry software, and other chemistry software, such as ACD/ChemSketch, ChemDB software, Chemical Reagent Calculator, Atom Builder, and Atoms, Symbols, and Equations. **[Computing skills a chemist should be able to:]** 1. use spreadsheets (such as Excel) 2. use statistical packages 3. use modeling software 4. write computer programs 5. understand instrument interfacing **[Introduction to Computer]** A [computer] is an electronic device that operates under the control of instructions stored in its memory. It can accept data (input), process it according to specified rules, produce information (output), and store it for future use.  **Figure (Computers process data into information).** Generally, the term is used to describe a collection of devices that function together as a system. It performs the following three operations in sequence. 1\. It receives data & instructions from the input device. 2\. Processes the data as per instructions. 3\. Provides the result (output) in a desired form. Computer systems consist of hardware and software. Hardware is the physical components of the computer, such as the central processing unit (CPU), hard disk, monitor, keyboard, and mouse. Software is the programs that run on a computer. **Data**: It is the collection of raw facts, figures, and symbols. Ex: Names of students and their marks in different subjects listed in random order. **Information**: It is the data that is processed & presented in an organized manner. Ex: When the names of students are arranged in alphabetical order, total and average marks are calculated & presented in a tabular form, it is information. **Program**: Set of instructions that enables a computer to perform a given task. **[COMPUTER ORGANIZATION ]** A computer system consists of mainly four basic units: input, storage, central processing, and output. See Figure. A diagram of a computer Description automatically generated A computer performs five major operations or functions irrespective of size and make. These are: It accepts data or instructions as input, It stores data and instruction It processes data as per the instructions, It controls all operations inside a computer, and It gives results in the form of output. **[Functional Units: ]** 1. **Input Unit:** This unit is used for entering data and programs into the computer system by the user for processing. Input devices translate data from a form that humans understand to one that the computer can work with. The most common is a keyboard and mouse.  2. **Central Processing Unit (CPU)** The Central Processing Unit (CPU) is the primary component of a computer that acts as its "control center." The CPU also referred to as the "central" or "main" processor, is a complex set of electronic circuitries that runs the machine\'s operating system and apps. The functions of a CPU are: - It performs all calculations and all decisions. - It controls and co-ordinates all units of the computer - It interprets instructions of a program - It stores data temporarily and monitors external requests. The CPU is subdivided into the following sub-systems. - **Arithmetic Logic Unit**: All calculations and comparisons, based on the instructions provided, are carried out within the ALU. It performs arithmetic functions like addition, subtraction, multiplication, and division and logical operations like greater than, less than, and equal to, etc. - **Control Unit**: Controlling of all operations like input, processing, and output are performed by a control unit. It takes care of step-by-step processing of all operations inside the computer. 3. **Storage Unit**: The storage unit is used for storing data and instructions before and after processing. computer components Computer memory is a data storage technology that can store or save data, temporarily or permanently. The data stored are in a binary (0 and 1), allowing the user to save and retrieve the information anytime they require it. **Computer Storage Units**  Generally, a computer system consists of two types of memory: **A.** **Primary Memory** can be further classified as RAM and ROM. It is called the internal memory of the computer. It is also known as main memory or Temporary memory. It holds the data and instructions that are presently working on the system or by the CPU. Primary Memory is called volatile memory because when power is switched off it loses all data. Primary memory is generally of two types (RAM and ROM): - **RAM (Random Access Memory)** − It stands for Random Access Memory. RAM is a read /write memory. It is referred to as the main memory of the computer system. It is a temporary memory. The information stored in RAM is lost whenever the power supply to the computer is switched off. - **ROM (Read Only Memory)** − It stands for Read Only Memory. ROM is a permanent type of memory. ROM information is not lost when the power supply is switched off. The Content of ROM is inserted by the computer manufacturer and permanently stored at the time of manufacturing. ROM cannot be overwritten by the computer. It is also called Non- Volatile Memory. B. **Secondary Memory** It is an external memory of the computer. It is also known as Auxiliary memory or permanent memory. It is used to store different programs and information permanently. We call it a non-volatile memory which means the data is stored permanently even if power is switched off. Secondary storage examples hard disks and optical storage devices such as CDs, DVDs, Pen drives \... etc.  4. **Output Unit**: The output unit stores the result as output produced by the computer after processing. The output device receives information from the CPU and presents it to the user in the desired form. The processed data, stored in the memory of the computer is sent to the output unit, which then converts it into a form that the user can understand. The output is usually produced in one of two ways -- on the display device or paper (hard copy). **[Personal Computer (Microcomputer)]** Personal computers, or PCs, are general-purpose microcomputers made for individual use. These setups typically feature one central processing unit (CPU), memory, storage, and peripheral devices like a keyboard, mouse, and monitor. They're capable of running a wide range of software applications, from word processing and internet browsing to gaming and multimedia playback, and come in various forms --- desktops, laptops, and tablets --- that offer their combination of portability, performance, and functionality. **Personal Computer Features:** - General-purpose computers - Designed for convenience and affordability - Single user - Versatile models, from desktops to smartphones - Used for web browsing, multimedia streaming, and gaming **[Types of Personal Computer]** - **Desktop** A desktop computer is a personal computer made for regular use in a single location, typically a desk. It features a monitor, keyboard, mouse, speakers, and often a printer that are all connected to a computer tower, housing the power supply, motherboard, and processor. Desktops are used for day-to-day tasks like web browsing, word processing, email, gaming, and streaming, and offer powerful performance within an affordable system. - **Laptop** A laptop is a portable personal computer. Its foldable, clamshell build includes a screen, keyboard, touchpad, and internal hardware enclosed in a single unit. Laptops typically feature rechargeable batteries, lightweight construction, and various connectivity options like Wi-Fi, Bluetooth, and USB ports, allowing users to perform computing tasks on the go. Hardware specifications --- data storage, memory capacity, and processor speed - as well as price points vary based on the model and user configuration. Laptops usually operate on desktop operating systems and often feature built-in webcams, microphones, and even touchscreens. - **Tablet and Smartphone** Tablets and smartphones are portable touchscreen devices that run on mobile operating systems. With high-resolution screens, internet access, and powerful hardware, these pocket-sized computers offer immediate connectivity and versatile on-the-go use. While they're primarily designed for multimedia streaming, web browsing, and messaging, these devices also come with built-in GPS, cameras, microphones, and connectivity ports to support navigational and personal needs and productivity. - **Handheld Computer** A handheld computer is a battery-powered computer that can be held and operated with one hand. Predating smartphones, the idea behind these compact mobile devices was to miniaturize the standard personal computer. Featuring electronic displays, audio capabilities, and internet access, these devices became more colloquially referred to as personal digital assistants, or PDAs, during their rise in the 1990s, and were often used for keeping schedules, calendars, and address book information handy. - **Wearable** "Wearables" refer to portable, compact computers designed to be worn in close contact with skin. These body-mounted Internet-of-Things devices use biofeedback sensors to collect and analyze personal data in real-time. Gadgets like smartwatches, fitness trackers, and augmented reality glasses make information more readily available to the user while syncing data with the cloud and other connected devices.