Efforts of Chemistry to Computational Science


On behalf of the Journal, as Editor-in-Chief, it is my distinct honor and privilege to welcome you to the Journal of Theoretical and Computational Science.

The Journal of Theoretical and Computational Science aims to spread knowledge and promote discussion through the publication of peer-reviewed, high quality research papers on all topics related to Modern Scientific Techniques. The open access journal is published by Longdom Publishing who hosts open access peer-reviewed journals as well as organizes conferences that hosts the work of researchers in a manner that exemplifies the highest standards in research integrity.

Computational chemists use mathematical algorithms, statistics, and large databases to integrate chemical theory and modeling with experimental observations. Some of them create models and simulations of physical processes, and others use statistics and data analysis techniques to extract useful information from large bodies of data. Advances in computer visualization capabilities make it possible for the computational chemist to present complex analyses in a readily understandable form, which they can use to design experiments and new materials and validate the results.

Computational chemists may use simulations to identify sites on protein molecules that are most likely to bind a new drug molecule or create models of synthesis reactions to demonstrate the effects of kinetics and thermodynamics on the amount and kinds of products. They can also explore the basic physical processes underlying phenomena such as superconductivity, energy storage, corrosion, or phase changes.

Computational chemists may use high-performance computing (supercomputers and computing clusters) to solve problems and create simulations that require massive amounts of data. Tools of computational chemists include electronic structure methods, molecular dynamics simulations, quantitative structure–activity relationships, cheminformatics, and full statistical analysis.

Our Journal emphasizes high-level research and education. Original research articles, reviews, short communications, and letters to the editors in the fields of ecotoxicology are welcome. Every effort is made to have a speedy and critical peer-review process.

We always encourage your research works under the scope of our Journal of Theoretical and Computational Science. (Tap on the link to submit your research work)

With regards,

Joseph Marreddy
Managing Editor
Journal of Theoretical and Computational Science
WhatsApp: +3225889658