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Conference Session Tracks

SDG Wheel

Aligned with

UN Sustainable Development Goals

This conference contributes to global sustainability by aligning its research discussions and academic sessions with key United Nations Sustainable Development Goals. It fosters knowledge exchange, innovation, and collaborative engagement.

SDG 9
SDG 9 Industry, Innovation and Infrastructure
SDG 12
SDG 12 Responsible Consumption and Production
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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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