Computational Theory and Computational Implementation: Chemistry

INTRODUCTION TO MODERN COMPUTING, SOFTSKILLS, COMPUTATION THEORY

A. Computational Theory

Computational Theory is a branch of Computer Science & Mathematics that discusses how problems can be solved through computational models efficiently using algorithms. Computational theory itself is divided into three focuses, namely; Languages and automata theory, recursion theory & computational complexity theory.

1. Language & Automata Theory

Language & Automata Theory is part of computational theory in computer science, some computational theories come from language and systems engineering, especially those based on mathematics. This basic idea is modeled with symbols that also represent a function of a digital computer.

2. Recursion Theory

Recursive theory is a method in the world of mathematics which is defined as a function that contains the function itself. In the world of programming, recursion is implemented in a function that calls itself.

3. Computational Complexity Theory

Complexity Theory is the study or study of complex systems, complexity means totality or whole, a science that studies the totality of dynamic systems as a whole. In general, it can be said that a system is said to be complex if the system consists of many components or sub-units that interact with each other.

In general, computational science is a science that is concerned with the preparation of mathematical models and numerical solution techniques as well as the use of computers to analyze and solve problems.

Computational Theory can also be considered as a model for the creation of all branches in the field of computer science. Therefore, logic and mathematics are used in this computational theory. In this century, computational theory became an independent academic discipline and was separated from mathematics. The following are pioneers in the field of computational theory ;

1. Alan Turing

Alan Turing, as the originator of computational theory, created a machine that could perform mathematical calculations

The Turing Machine is a theoretical computing model discovered by Alan Turing, this machine can also function as an ideal model for carrying out mathematical calculations. The Turing Machine is known for the quote "Anything a Turing Machine can do a computer can do"

2. Stephen Kleene

Stephen Cole Kleene is a logic & mathematics expert, as well as the founder of RegEx (Regular Expression). RegEx is used to filter traffic sources, define segments and separate detailed report data from other data.

3. Alonzo Church

Alonzo Church is a mathematician and logician who has made major contributions to mathematical logic and theoretical computer science. He is also famous for lambda calculus, Turing Church's thesis, Rosser Church's theorem, and many others

4. Kurt Godel

Kurt Godel was a modern mathematician and logician who laid the foundations of today's computer programming languages.

   

5. John Von Neumann

John Von Neumann is the greatest mathematician of the current century, he was the first to ideate the concept of a system that receives instructions and is stored in a memory, he is also a pioneer of modern digital computers with the application of operator theory in the field of quantum mechanics.

6. Claude Shannon

Claude Elwood Shannon is a scientist and founder of computational theory, he is also an expert in mathematics and electronics, he is known as a cryptographic electrical engineer.

B. Computational Implementation

1. Implementation in the field of Chemistry

The implementation of modern computing in the field of chemistry is Computational Chemistry, namely the use of computer science to help solve chemistry problems. For example, the use of supercomputers to calculate the structure and properties of molecules.

The term theoretical chemistry can be defined as a mathematical description of chemistry, while computational chemistry is usually used when mathematical methods are developed well enough to be used in computer programs. It should be noted that the words “exact” or “perfect” do not appear here, because very few aspects of Chemistry can be calculated precisely. Nearly all aspects of chemistry can be described in approximate qualitative or quantitative computational schemes.

 

Source :

https://deadydiedy.wordpress.com/2015/04/05/komputasi-teori-komputasi/

https://helmifadhiel.wordpress.com/2018/03/11/pengertian-teori-komputasi-dan-pengimplementasiannya/

https://docplayer.info/30231530-Rekursif-rekursif-adalah-salah-satu-metode-dalam-dunia-matematika-dimana-definisi-sebuah-fungsi-mengandung-fungsi-itu-sendiri.html

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