Tentative program for ACS Gii

(Computers in Chemistry: Addressing Air Pollution Challenges with Sustainable Solutions)

Pre-conference Workshop

Day 1: Unlocking the Potential: Introduction to Computational Chemistry for Addressing Air Pollution Challenges

Time	Session	Description	Format
9:00-5:00 pm	Session 1: Introduction and Workshop Overview	Provide an introduction to the workshop, its objectives, and the importance of computational chemistry in addressing air pollution challenges with sustainable solutions.	In-person or virtual session
	Session 2: Fundamentals of Computational Chemistry	Cover the fundamental concepts and principles of computational chemistry, including molecular modeling, quantum mechanics, and computational techniques.	Presentation with slides, followed by a Q&A session
	Session 3: Applications of Computational Chemistry in Air Pollution Analysis	Explore the various applications of computational chemistry in analyzing air pollution sources, understanding pollutant behavior, and designing effective mitigation strategies.	Presentation with case studies, followed by interactive discussions

Lunch, Poster Session

Social Event by Invitation: ACS (American Chemical Society), CADDAsia (Computer Aided Drug Discovery Asia), AFMC (Asian Federation of Medicinal Chemistry) at KLCC Twin Tower ( Fri 8th Dec, 2023, 7pm)

Day 2: Exploring Opportunities: Advanced Applications of Computational Chemistry and Stakeholder Engagement in Addressing Air Pollution Challenges

Time	Session	Description	Format
9:00-5:00 pm	Session 4: Molecular Modeling and Simulation Techniques	Dive deeper into molecular modeling and simulation techniques used in computational chemistry, such as molecular dynamics, quantum chemistry methods, and docking studies.	Presentation with examples, followed by hands-on exercises using software tools (virtual session).
	Session 5: Data Analysis and Machine Learning in Air Pollution Research	Discuss the utilization of data analysis techniques, statistical methods, and machine learning algorithms in air pollution research and prediction.	Presentation with examples, followed by interactive discussions and data analysis exercises
	Session 6: Optimization and Design of Sustainable Solutions	Explore optimization techniques and computational methods for designing sustainable solutions to mitigate air pollution, such as emission control strategies and green chemistry approaches.	Presentation with case studies, followed by group discussions and problem-solving exercises

Lunch Poster Session

Tentative program for 7^th ICCST

(Virtually going green: The role of computer science and engineering in reducing pollution and toxicity)

Day 1: Unlocking the Potential: Introduction to Computational Chemistry for Addressing Pollution Challenges & Its Toxicity

9:00-5:00 pm	Quantum Revolution
	Computational Biology and Bioinformatics
	Computational chemistry, Materials, and Nanotechnology
	Computational Mathematics and statistics
	Workshop Activities and Discussion

2 Tea Breaks and Lunch, Poster Session

Social Event by Invitation: ACS (American Chemical Society), CADDAsia (Computer Aided Drug Discovery Asia), AFMC (Asian Federation of Medicinal Chemistry) at KLCC Twin Tower ( Fri 8th Dec, 2023, 7pm)

Day 2: Exploring Opportunities: Advanced Applications of Computational Method and Stakeholder Engagement in Addressing Pollution Challenges

9:00-5:00 pm	Computational physics and quantum information science
	Machine learning and artificial intelligence
	High-performance computing, computer science, and computer engineering
	Workshop Activities and Discussion

2 Tea Breaks and Lunch, Poster Session