Hybrid Conferencee

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

21st - 22nd October 2026 | Barcelona, Spain

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Conference Notifications:

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Call for Papers Extended:
"The deadline for full paper submissions has been extended for the Research Plus International Conference in Barcelona. Submit your research by today to participate in one of the top conferences."
Certificate of Presentation:
"Present your research and receive a Certificate of Presentation to recognise your valuable contribution to the conference."
Abstract Submissions Open:
"Abstract submissions for the Barcelona event are now open! Don’t miss the chance to present your research. Submit now."
Networking with Global Experts:
"Engage with researchers and professionals from around the world at the Barcelona conference. Build collaborations and gain insights from leading experts."
Keynote Speaker Sessions:
"Don’t miss our Keynote Sessions in Barcelona, featuring global leaders and innovators sharing their knowledge."
Best Paper & Best Paper Presentation Award:
"Submit your paper and stand a chance to win the Best Paper Presentation Award. The winner will be recognized at the conference in Barcelona."
SDG-Inspired Conference Focus:
"Our conference will highlight research that addresses global sustainability, inclusive education, and solutions for environmental challenges."

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 3
SDG 3 Good Health and Well-being
SDG 4
SDG 4 Quality Education
SDG 9
SDG 9 Industry, Innovation and Infrastructure
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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.