Scholars Research Library

Scholars Research Library

Journal of Computational Methods in Molecular Design

An International Online Journal of Chemical Physics, Physical Chemistry, Molecular Physics and Theoretical Chemistry

The Journal of Computational Methods in Molecular Design (JCMMD) is an international interdisciplinary journal serving as a key source of information on the latest research that can be defined as belonging to the ever-expanding areas of theoretical and computational chemistry and their applications to wide scientific fields spanning chemistry, biology, materials, physics, and so on. Understanding that experimental results in some research areas are fundamental for the theoreticians, JCMMD considers also purely experimental papers on some topics listed below.

Contributions include full papers, preliminary communications, research notes and topical review articles.

A partial list of topics covered by JCMMD is: electronic structure calculations, molecular dynamics, spectroscopy and reaction kinetics (atoms, molecules, clusters, surfaces, and bulk matter), condensed matter, surface science, statistical mechanics of simple and complex fluids, density functional theory, first-principles molecular dynamics, design and properties of new materials, QM/MM calculations and solvation models, quantum Monte-Carlo, structure and dynamics of biomolecules, photonics and non-linear optics, quantum information, catalysis, reaction mechanisms and rates, weak interactions, software and algorithms development, atomic clusters, studies of ligand-receptor interactions, macromolecular complexes, drug discovery, chemical biology, protein and nucleic acid engineering and design, design of nanomolecular structures, strategies for modeling macromolecular assemblies, molecular networks and systems, pharmaco- and chemogenomics, computer-assisted screening strategies, de novo design of biologically active molecules, computer-aided molecular design; rational drug design, receptor modeling and docking, cheminformatics, data analysis, visualization and database mining, computational medicinal chemistry, homology modeling, simulation of peptides, DNA and other biopolymers, quantitative structure-activity relationships (QSAR) and ADME-modeling, modeling of biological reaction mechanisms, combined experimental and computational studies, compound library design, quantum electronic structure, ab initio quantum mechanics, density functional theory, design, modeling and properties of new materials, surface and materials science, biomolecular structure prediction, molecular dynamics in the broadest sense including gas phase dynamics, ab initio dynamics, biomolecular dynamics, and protein folding, optical spectrophotometry (atomic and molecular in the UV, visible and IR), molecular spectroscopy (fluorescence and phosphorescence in the UV, visible and IR), optical atomic spectroscopy (flames, furnaces and plasmas), X-ray spectroscopy, microwave spectroscopy, laser spectroscopy, fullerenes, nanotubes and analogous structures,  graphene and graphene-derived materials, silicene and germanene/silicane and germanane, boron nitride nanostructures, composite materials, molecular mechanics, chemoinformatics, combinatorial chemistry, organic and inorganic theoretical chemistry, etc.  Other topics cover 2D layered structures, atomic physics, atomic and molecular collisions, optical and laser physics, quantum optics, information and control, synthesis and atomic/molecular properties of new materials, and similar ones.

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Article Processing Charges
Manuscript Type Article Processing Charges
Research Article and Review Article 300 USD
Special Issue Article and other article types 300 USD
Our Editorial Team
Prof. Dr. Francisco Torrens

Institut Universitari de Ciencia Molecular 0.2.2, Universitat de Valencia Edifici dInstituts de Paterna, Valencia SPAIN

Prof. (Dr.) Kadir Saltali

K. Maras Sutcu Imam University, Agr. Fac. Department of Soil Science Avsar Campus, K. Maras TURKEY

Prof. (Dr.) Tongwen Xu

Lab of Functional Membranes, School of Chemistry and Material Science University of Science and Technology of China, Hefei CHINA

Prof. Dr. Adem Onal

Director of Natural Dyes Application and Resarch Center, Dean of Science Faculty Gaziosmanpasa University TURKEY

Prof. Vincenzo De Feo

State University of Salerno ITALY

Dr. Zaki Safi

Quantum Chemistry, Chemistry Department, Faculty of Science Al Azhar University-Gaza GAZA, Palestinian Authority

Dr. Naceur Hamdi

Borj Cedria Higher Institute of Sciences and Technology of Environment TUNISIA

Dr. Guang-Fu Yang

Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan CHINA

Open Access Policy

Scholars Research Library publishes all its journals in full open access format which are easily accessible for scientific community. Researchers have free and unlimited access to the full-text of articles published in Scholars Research Library Journals ie Readers can access the published articles freely without login and password. It gives the author's research high visibility, availability and more citations.

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