Additive Manufacturing (AM), or else Smart Manufacturing, has been an intrinsic concept in Industry 4.0, offering flexibility and material efficiency. Certain limitations prevent AM from being used in the industrial setting extensively, despite its advantages. Therefore, a literature review on the process modelling approaches, their advantages and limitations was performed. The most frequently used process modelling approaches were reviewed and summarized with respect to the process modelling approach, scale and limitations. The different categories of process modelling approaches were compared, with molecular dynamics being a promising modelling technique that can be used in software applications. A new framework for modelling additive manufacturing processes based on molecular dynamics was proposed in this work, combining previously published manufacturing methodologies for the AM process, such as manufacturability, design and planning of the AM. A validation plan followed, with the main parameters and details highlighted. The proposed framework is offering a unique approach for modelling the AM process, based on parameters from the manufacturing design, planning and process. This framework will be used in software platforms for predicting temperature distributions and for optimizing shape and AM process.