Computational Methods in Chemistry

Open Science Framework 2026 Open access

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Authors: Rahadian Zainul, intan elwis khairina muzia, Iffat Syafiqoh Afif
DOI: 10.17605/osf.io/ftd5h
Cited by: 0

Abstract

A. Molecular Mechanics (MM) Molecular mechanics (MM) is a computational chemistry method that applies classical mechanics to calculate the potential energy and forces within a molecular system, without explicitly considering electronic structure. Due to its high computational efficiency, MM is particularly suitable for large systems such as proteins, polymers, and other biomolecular systems.

Fields of Study & Subjects

Advanced Physical and Chemical Molecular Interactions Synthesis and Properties of Aromatic Compounds Machine Learning in Materials Science

Publication details

Journal / source
Open Science Framework
Publication date
1 January 2026