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International Conference on Computational Thermodynamics in Chemistry

📅 27–28 Nov 2026 📍 Buenos Aires, Argentina 👤 Standard / Listener

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Conference session tracks

Key research areas covered across the sessions — tap a track to read more.

This track focuses on the latest methodologies and techniques in computational thermodynamics. Participants will explore novel approaches to modeling thermodynamic properties and phase equilibria.

This session will delve into the theoretical frameworks and computational methods used to analyze phase equilibria and chemical potentials. Discussions will include case studies that highlight the importance of these concepts in various chemical processes.

This track emphasizes the significance of Gibbs free energy and enthalpy in predicting reaction spontaneity and stability. Participants will present innovative computational techniques for accurate calculations in complex systems.

This session will explore the role of entropy in understanding chemical reactions and phase transitions. Attendees will discuss various computational strategies for entropy calculation and its implications in thermodynamic predictions.

This track focuses on the computational investigation of thermodynamic properties in emerging materials. Researchers will present findings on how these properties influence material performance and applications.

This session will examine the thermodynamic principles governing chemical reactions and their kinetics. Participants will share insights into computational models that elucidate reaction pathways and energy barriers.

This track will highlight the integration of calorimetry with computational techniques to enhance thermodynamic understanding. Presentations will cover experimental and theoretical perspectives on calorimetric data analysis.

This session will focus on the application of molecular simulation techniques to investigate thermodynamic properties. Attendees will discuss advancements in simulation methodologies and their impact on theoretical chemistry.

This track will explore the principles of statistical thermodynamics and their relevance to chemical systems. Researchers will present computational approaches that bridge statistical mechanics with thermodynamic predictions.

This session will cover the computational modeling of phase diagrams and energy landscapes in various chemical systems. Discussions will include the significance of these models in predicting material behavior under different conditions.

This track will focus on the latest developments in molecular modeling techniques and their applications in thermodynamics. Participants will share insights on how these techniques enhance our understanding of chemical processes.