International Conference on Computational Chemistry and Simulation Methods
(ICCCSM-26)

10th October 2026 || Hyderabad - India || Hybrid Mode

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Conference Session Tracks

The International Conference on Computational Chemistry and Simulation Methods (ICCCSM), scheduled to be held on 10th October 2026 in Hyderabad, India, features a diverse range of session tracks covering key research areas, emerging trends and interdisciplinary innovations within the field of Theoretical Chemistry.

Each track offers researchers, academicians, industry professionals and practitioners a platform to present their work, exchange ideas and explore the advancements shaping the future of the domain. Every track is curated to encourage knowledge sharing, collaboration and meaningful discussion.

All Session Tracks
  • Track 01 – Advancements in Molecular Modeling Techniques
    This track focuses on the latest developments in molecular modeling methodologies, emphasizing their applications in predicting molecular behavior. Participants will explore innovative approaches that enhance the accuracy and efficiency of simulations. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
  • Track 02 – Quantum Calculations in Theoretical Chemistry
    This session delves into the application of quantum calculations in understanding chemical systems at a fundamental level. Researchers will present their findings on the integration of quantum mechanics with computational techniques. Aligned SDGs: SDG 4 – Quality Education  |  SDG 9 – Industry, Innovation and Infrastructure
  • Track 03 – Molecular Dynamics Simulations: Techniques and Applications
    This track examines the role of molecular dynamics simulations in studying the time-dependent behavior of molecular systems. Presentations will cover novel algorithms and their applications in various fields of physical and life sciences. Aligned SDGs: SDG 3 – Good Health and Well-being  |  SDG 9 – Industry, Innovation and Infrastructure
  • Track 04 – Ab Initio Simulations: Methods and Innovations
    This session highlights the advancements in ab initio simulation methods and their implications for theoretical chemistry. Researchers will discuss new techniques that improve computational efficiency and accuracy. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
  • Track 05 – Density Functional Theory: Challenges and Solutions
    This track addresses the challenges associated with density functional theory (DFT) and explores innovative solutions to enhance its applicability. Participants will share insights on recent developments and practical applications of DFT in chemical research. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
  • Track 06 – Force Field Simulations: Developments and Applications
    This session focuses on the development and application of force field simulations in computational chemistry. Researchers will present case studies that demonstrate the effectiveness of various force fields in modeling complex molecular systems. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
  • Track 07 – Potential Energy Calculations in Chemical Systems
    This track investigates the methodologies for calculating potential energy surfaces and their significance in chemical reactions. Participants will discuss the implications of these calculations for understanding reaction mechanisms. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
  • Track 08 – Modeling Reaction Pathways: Techniques and Insights
    This session explores the computational techniques used to model reaction pathways in chemical systems. Researchers will present their findings on the dynamics of chemical reactions and the role of computational methods in elucidating these processes. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
  • Track 09 – Thermodynamic Properties: Computational Approaches
    This track focuses on computational approaches to determine thermodynamic properties of chemical systems. Participants will discuss innovative methods and their applications in predicting phase behavior and stability. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
  • Track 10 – Computational Algorithms in Theoretical Chemistry
    This session highlights the development of computational algorithms that enhance the efficiency and accuracy of theoretical chemistry simulations. Researchers will present novel algorithms and their applications in various chemical contexts. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
  • Track 11 – Software Tools for Computational Chemistry
    This track showcases the latest software tools developed for computational chemistry and simulation methods. Participants will discuss user experiences and the impact of these tools on advancing research in theoretical chemistry. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
Alignment with the Sustainable Development Goals
Alongside its academic focus, the conference promotes responsible research, ethical practice and knowledge-driven development. Its session tracks collectively contribute to the following United Nations Sustainable Development Goals.
  • SDG 3 SDG 3
    Good Health and Well-being
  • SDG 4 SDG 4
    Quality Education
  • SDG 9 SDG 9
    Industry, Innovation and Infrastructure
  • SDG 12 SDG 12
    Responsible Consumption and Production

Need Assistance?

If you need any clarification on the session tracks or support with your submission, please feel free to reach out to us:

Email: [email protected]

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