BASIC PROGRAMMING

본 강의의 목표는 기본 프로그래밍 기술과, 컴퓨터 기반 사고능력을 객체지향 언어를 이용하여 가르친다. 프로그래밍은 컴퓨터공학에서 모든 분야에서 사용되는 굉장히 중요한 기술이므로, 본 강의에서 학생들은 기본 프로그래밍 기법부터, 다양한 라이브러리 사용법까지 배우게 된다. 또한, 학생들은 컴퓨터 기반 사고를 바탕으로 문제 정의부터 문제 해결 기법까지 배우게 된다.

• To introduce students to structural and molecular visualization tools used in materials science. • To provide hands-on experience in using VESTA and IQmol for data interpretation and presentation. • To train students in reading and modifying crystallographic information files (CIF), and quantum chemical input/output files. • To enhance students’ ability to analyze and represent atomic/molecular interactions, symmetry, and electron distributions. • To prepare students for research and industry-level work involving computational materials modeling.

1. At least 85% attendance is mandatory to qualify for the final assessment. 2. Late arrivals beyond 5 minutes will be marked as absent. 3. Active participation in all class activities, discussions, and hands-on sessions is required. 4. Attendance in quizzes, mid-term exams, and the final test is compulsory; missing any without valid approval will result in a zero score. 5. Assignments, project reports, and presentations must be submitted by the specified deadlines; late submissions will incur a 10% penalty per day and will not be accepted after three days. 6. Mobile phones and non-course-related use of devices are prohibited during class unless permitted for specific activities. 7. Plagiarism, cheating, or academic dishonesty will result in severe penalties, including a failing grade or disciplinary action. 8. Respectful behavior toward peers and the instructor is expected; disruptive conduct will not be tolerated. 9. Eating and drinking are not allowed in the classroom or computer lab. 10. Students must inform the instructor in advance or as soon as possible in case of emergencies and provide valid documentation for missed classes or assessments.

• Basic understanding of crystallography (Bravais lattices, unit cells, symmetry). • Introductory knowledge of quantum chemistry and molecular structures. • Familiarity with atomic models, periodic table, and bonding types. • Comfort with using computers and basic software operations (file navigation, downloading software, etc.)

• Research Preparation: Supports thesis work involving structure prediction, analysis, and visualization. • Publication Graphics: Enables creation of high-quality visual materials for research papers and presentations. • Collaboration: Enhances interdisciplinary work with computational chemists, physicists, and materials modelers. • Industry Applications: Useful for materials design, defect analysis, and development of new materials (e.g., semiconductors, catalysts, polymers). • Advanced Learning: Provides foundational knowledge for using more complex modeling and simulation tools like VASP, Quantum ESPRESSO, and Gaussian.