2023 ACS Global Innovation Imperatives - 7th International Conference on Computation for Science and Technology (ICCST)

2023 ACS Global Innovation Imperatives - 7th International Conference on Computation for Science and Technology (ICCST)

Speakers

Plenary Speakers

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Dato Prof. Dr. Azizan Bin Hj Abu Samah
Institute of Ocean and Earth Sciences, Malaysia

Topic: Rare Earth Issues and air pollution in the Klang Valley

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Associate Prof. Somporn Chantara, Ph.D.
Department of Chemistry, Chiang Mai University, Thailand

Topic: Air Pollution in Southeast Asia, management, and research challenges

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Associate Prof. Chi-Kit SIU, Ph.D.
Department of Chemistry, City University of Hong Kong, Hong Kong

"Computational Modeling of Reaction Mechanisms of Hydrated Ion Clusters toward Atmospheric Gas Molecules"

Picture of Prof. Andriyan Bayu Suksmono, Ph.D.
Prof. Andriyan Bayu Suksmono, Ph.D.
School of Electrical Engineering and Informatics, Bandung Institute of Technology, Indonesia

Topic: An Introduction to the 2nd Quantum Revolution and Quantum Computing

Prof. Türkan Hali̇loğlu, Ph.D.
Department of Chemical Engineering, Boğaziçi University, Istanbul-TURKEY

Topic: Deciphering Allosteric Dynamics: Insights from Gaussian Network Analysis

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Prof. Sun Choi, Ph.D.
College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul-Korea

Topic: Molecular Modeling and Artificial Intelligence (AI) assisted Drug Design, and their Applications in Drug Discovery

Invited Speakers

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Prof. Dr.rer.nat. apt. Sophi Damayanti
School of Pharmacy, Bandung Institute of Technology, Indonesia

Topic: The Role of Computational Chemistry in Developing Molecular Imprinted Polymer for Separation Method

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Prof. Arry Yanuar, Ph.D.
Faculty of Pharmacy, Universitas Indonesia, Indonesia

Topic: Computational Approach in Green Chemistry

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Prof. Lee-Wei Yang
Inst. of Bioinformatics and Structural Biology, National Tsing Hua

Topic: Integration of on-target and systemic chemical fragments of old drugs in CADD to save the environment and lives

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Assist. Prof. Dr. Thomas Lei
University of Saint Josept, Macao, China

Topic: Application of ANN, XGBoost, and Other ML Methods to Forecast Air Quality in Macau

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Prof. Dr. Yoshiyuki Kawazoe
Senior Research Fellow and Professor Emeritus, Tohoku University, Japan

Topic: Theory First: From explanation of experiments to a reliable theory to which experimentalists follow

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Prof. Dr. Bibi Fatemeh Haghirosadat
Shahid Sadoughi University of Medical Sciences

Topic: Air Quality and Public Health: A Critical Review of the Comprehensive Health Impacts of Air Pollution and the Imperative for Action

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Professor ChM Dr. Mohd Basyaruddin Abdul Rahman, FASc, FMIC, FRSC, FIAAM
University Putra Malaysia

Topic: Biodegradable Calcium-based Metal-organic Frameworks as Nanodelivery of Active Molecules

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Dr. Marzieh Yaeghoobi
Sharoud University of Medicinal Sciences, Iran

Topic: Air Quality Modeling

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Assoc. Prof. Dr. Piyarat Nimmanpipug
Chiang Mai University, Chiang Mai, Thailand

Topic: Supramolecular Functional Materials Simulations for Sustainability

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Prof. Dr. Supat Jiranusornkul
Chiang Mai University, Chiang Mai, Thailand

Topic: Multitarget Virtual Screening for Potential Herbal Substances against Osteoporosis

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Prof. Dr. U Deva Priyakumar
Center for Computational Natural Sciences and Bioinformatics, International Institute of Information Technology, CCNSB, IIT Campus, Gachibowli, Hyderabad, 500 032, India

Topic: Impact of AI/ML in Healthcare: Screening, Diagnosis and Prognosis

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Dr. Bilal Shaker
Global AI Drug Discovery Center, College of Pharacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Korea

Topic: Identification of Positive Allosteric Modulators (PAMs) for the A1 Adenosine Receptor (A1AR) Using Pharmacophore Modeling and Molecular Dynamics Simulations : A Comprehensive Drug Discovery Approach

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Prof. Dr. Habibah A. Wahab
USM, Malaysia

Topic: CADD Asia

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Assoc. Prof. Dr. Hisashi Okumura
IMS, Japan

Topic: Disease-related proteins studied by molecular dynamics simulations

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Assoc. Prof. Dr. Satoru Itoh
IMS, Japan

Topic: Generalized-ensemble algorithms for protein oligomerization processes

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Asst. Prof. Dr. Doan Quang-Van
Center for Computational Sciences, University of Tsukuba, Japan

Topic: Future climate prediction with high-performance computer

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Assoc. Prof. Dr. Sarah Harris
University of Leeds, UK

Topic: Coase grained FFEA

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Assoc. Prof. Dr. Thanyada Rongrutmongkul
Chulalongkorn University, Thailand

Topic: Designing SARS-CoV-2 Main Protease Inhibitors with Enhanced Experimental Inhibitory Efficiency Using Machine Learning-based QSAR and LB-PaCS-MD

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Assoc. Prof. Dr. Phornphimon Maitarad
Shanghai University, China

Topic: Comparative Study of Machine-Learning-Based QSAR Modeling of Anti-Inflammatory Compounds from Durian Extraction

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Prof. Moritz Mueller
Swinburne Univeristy, Australia (Malaysia campus)

Topic: The Power of Data Cubes in Earth Observation

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Assoc. Prof. Dr. Jane Gew Lai Ti
Sunway University, Malaysia

Topic: Towards Zero Single-Use Plastic: The Role of Chemistry Knowledge

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Prof. Dr. Liew Chee Sun
Head of DICC, Malaysia

Topic: HPC in UM for large scale and intensive calculations

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Prof. Dr. Juan Joon Ching
NANOCAT, Malaysia

Topic: Removing harmful VOC with light energy

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Dr. Fransiska Kurniawan, M.Si.
School of Pharmacy, Bandung Institute of Technology, Indonesia

Topic: Critical issue in MD simulation

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Assoc. Prof. Dr. Bimo Ario Tejo
Universiti Putra Malaysia

Topic: Challenges and Opportunities in Designing Drugs for Tuberculosis

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Assoc. Prof. Dr. Yeoh Keat Hoe
Jeffrey Sachs Center on Sustainable Development, Sunway University

Topic: Theoretical screening of single transition metal atom substitutional doped on monolayer Nb2S2C for oxygen reduction reaction

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Dr Nurzatil Sharleeza Mat Jalaluddin
Ex-officio Malaysia Open Science Alliance member

Topic: Open Science for Impactful Research

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Assoc. Prof. Dr. Davood Tofighi
University of New Mexico

Topic: Impacts of Environmental Pollution on Public Health: A Critical Review

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Assoc. Prof. Dr. Low Kah Hin
UMCompChem, MolDesign, Universiti Malaya

Topic: Reinventing waste optical discs into polycarbonate-based adsorbents: response surface methodology in adsorption study

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Prof. Dr. Darwin Barayang Putungan
Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños

Topic: Hydrogen evolution reaction on bulk and 2D materials: The role of surface features and structural phase

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Dr. Jielu Yan
University of Saint Joseph, Macau, China

Topic: ML & AI

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Lorraine Kijvanit
B.A.N.K. Coach and Trainer

Topic: Mindful Living: Clearing Mental Clutter for Better Communication

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Dr.Yasmin Binti Shamsudin
Uppsala University, Sweden

Topic: Going green- Computer-aided engineering of Green Fluorescent Proteins

Pre-workshop Speakers & Instructors

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Dr. Tang Wai Kit
UMCompChem, MolDesign, Universiti Malaya

Topic: QM

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Assoc. Prof. Vannajan S. Lee
UMCompChem, MolDesign, Universiti Malaya

Topic: MD

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Assoc. Prof. Dr. Thanyada Rongrutmongkul
Chulalongkorn University, Thailand

Topic: MD

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Assoc. Prof. Dr. Shirley Siu
Macao Polytechnic University, China

Topic: ML & AI

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Dr. Jielu Yan
University of Saint Joseph, Macau, China

Topic: ML & AI