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International Conference on Computational Approaches to Chemical Kinetics

📅 4–5 Mar 2027 📍 Bratislava, Slovakia 👤 Standard / Listener

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$165

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Conference session tracks

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

This track will explore the latest developments in transition state theory and its applications in understanding reaction mechanisms. Emphasis will be placed on computational methods that enhance the accuracy of transition state calculations.

This session will focus on innovative kinetic modeling approaches and their implementation in simulating complex chemical reactions. Participants will discuss the integration of various computational techniques to improve model reliability.

This track will delve into the role of molecular dynamics simulations in elucidating reaction pathways and mechanisms. Presentations will highlight case studies that demonstrate the power of molecular dynamics in predicting reaction rates.

This session will cover the application of Monte Carlo simulations in studying chemical kinetics and reaction mechanisms. Researchers will share insights on how these stochastic methods can provide a deeper understanding of reaction dynamics.

This track will investigate the construction and analysis of potential energy surfaces to identify energy barriers in chemical reactions. Discussions will include methodologies for accurately mapping these surfaces and their implications for reaction kinetics.

This session will focus on the computational study of catalytic processes and their influence on reaction rates. Participants will present findings on how catalysts alter energy landscapes and enhance reaction efficiency.

This track will explore ab initio methods for calculating reaction rates and mechanisms. Researchers will discuss the challenges and advancements in applying these techniques to complex chemical systems.

This session will examine the role of thermodynamic parameters in the context of chemical kinetics. Presentations will highlight how these parameters influence reaction feasibility and rate constants.

This track will investigate the significance of kinetic isotope effects in understanding reaction mechanisms. Participants will share experimental and computational insights into how isotopic substitution can reveal mechanistic details.

This session will focus on techniques for analyzing reaction coordinates to elucidate reaction pathways. Discussions will include the integration of computational tools to visualize and interpret complex reaction dynamics.

This track will highlight novel theoretical approaches in chemistry that enhance our understanding of chemical kinetics. Researchers will present cutting-edge methodologies that bridge theory and computational practice.