Natural Science

Natural Science

ISSN Print: 2150-4091
ISSN Online: 2150-4105

Call For Papers

Special Issue on Computational Chemistry

Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures and properties of molecules and materials. Computational chemistry is also used to describe the computational techniques aimed at understanding the structure and properties of molecules and materials. The goal of this special issue is to provide a platform for scientists and academicians all over the world to promote, share, and discuss various new issues and developments in this area of Computational Chemistry.

In this special issue, we invite front-line researchers and authors to submit original research and review articles that explore Computational Chemistry. In this special issue, potential topics include, but are not limited to:

  • Develop computer models and simulations of chemical and biochemical processes and entities
  • Perform and interpret statistical analysis of large datasets
  • Create visual representations of reaction pathways, molecular interactions, or other phenomena
  • Characterize new compounds and processes to support patent claims  
  • Apply new software and hardware capabilities for data collection and analysis
  • Quantum mechanics in computational chemistry
  • Computational & theoretical

Authors should read over the journal’s For Authors carefully before submission. Prospective authors should submit an electronic copy of their complete manuscript through the journal’s Paper Submission System.

Please kindly specify the Special Issue” under your manuscript title. The research field “Special Issue - Computational Chemistry” should be selected during your submission.

Special Issue timetable:

Submission Deadline

September 25th, 2021

Publication Date

       November 2021

Guest Editor:

For further questions or inquiries

Please contact Editorial Assistant at

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