All Session Tracks

• Track 01 – Advancements in Density Functional Theory
  This track will explore recent developments in density functional theory (DFT) methodologies, focusing on novel hybrid functionals and their applications. Participants are encouraged to present innovative approaches that enhance the accuracy and efficiency of DFT calculations. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
• Track 02 – Electronic Structure of Complex Materials
  This session will delve into the electronic structure of complex materials, including transition metal oxides and topological insulators. Discussions will center on the interplay between electronic properties and structural characteristics, utilizing advanced computational techniques. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
• Track 03 – Quantum Mechanics in Theoretical Chemistry
  This track focuses on the application of quantum mechanics to solve problems in theoretical chemistry, emphasizing wavefunction analysis and molecular orbital theory. Contributions should highlight the integration of quantum mechanical principles with computational methods. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
• Track 04 – Charge Density and Chemical Bonding
  This session will investigate the relationship between charge density distributions and chemical bonding in various molecular systems. Presenters are invited to share insights on how charge density analysis can elucidate bonding characteristics and reactivity. Aligned SDGs: SDG 12 – Responsible Consumption and Production
• Track 05 – Computational Methods for Spectroscopy
  This track will cover the application of computational methods to interpret and predict spectroscopic properties of molecules. Emphasis will be placed on the synergy between theoretical predictions and experimental results in spectroscopy. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
• Track 06 – Ab Initio Calculations and Their Applications
  This session will focus on ab initio computational methods and their applications in predicting molecular properties and behaviors. Researchers are encouraged to present case studies that demonstrate the effectiveness of ab initio approaches in various chemical contexts. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
• Track 07 – Band Structure and Electronic Transitions
  This track will explore the theoretical underpinnings of band structure calculations and their implications for electronic transitions in solids. Contributions should address the role of band structure in determining material properties and phenomena. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
• Track 08 – Potential Energy Surfaces and Reaction Dynamics
  This session will examine the construction and analysis of potential energy surfaces (PES) in relation to reaction dynamics. Presenters are invited to discuss methodologies for mapping PES and their applications in understanding chemical reactions. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
• Track 09 – Basis Set Optimization in Computational Chemistry
  This track will focus on the optimization of basis sets in computational chemistry, highlighting strategies to improve computational accuracy. Participants are encouraged to present novel techniques and their impact on the reliability of computational results. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
• Track 10 – Theoretical Approaches to Molecular Energy Levels
  This session will delve into theoretical approaches for calculating molecular energy levels and their significance in chemical reactivity. Contributions should emphasize the interplay between theory and experimental validation of energy level predictions. Aligned SDGs: SDG 9 – Industry, Innovation and Infrastructure  |  SDG 12 – Responsible Consumption and Production
• Track 11 – Exchange-Correlation Functionals in DFT
  This track will focus on the development and application of exchange-correlation functionals within density functional theory. Researchers are invited to present advancements that enhance the performance of these functionals in various chemical systems. 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 9
  Industry, Innovation and Infrastructure
• SDG 12
  Responsible Consumption and Production