Alloys are versatile materials that are known for their strength, electrical and thermal conductivity, and recyclability. Due to these properties, they find wide applications in industries, such as aerospace, automobiles, and biomedical. With the increased focus on circular economy to tackle the issues pertaining to the environment, durability and reusability of metallic materials have become an important research area for the industry and academia alike. The research focuses on designing alloys that can withstand a wide range of impurities, enabling the use of less energy intensive scrap metal recycling process. In addition, the designed alloy should be resistant to harsh and corrosive working conditions to increase the product lifetime, e.g., development of materials resistant to corrosive hydrogen environment that can lead to hydrogen embrittlement. During processing and in service, the alloys are subjected to variety of loading conditions, which influence the materials microstructures and their properties. The alloys during its processing, and also in service are subjected to variety of loading conditions, which influence the materials microstructures and their properties. Understanding the connection between the loading conditions, microstructure, and material properties is an expensive process. It is therefore the aim of Integrated Computational Materials Engineering (ICME) to establish the material processing-structure-property relationship using computer simulations. In general, the material behaviour is a result of the complex interplay between the local chemical composition, the distribution of defects in the system, and the temperature. Due to the involvement of multiple interacting physical phenomena, it is necessary to perform multi-physics simulations to capture and predict material behaviour for different processing and loading conditions. In this thesis, the development of an ICME framework is presented, which enables multi-physics simulations at the grain scale. This work outlines the key requirements for an ICME framework, and how one could aim to progress in that direction. It is also shown that computational material development is a complex process, and requires the coupling between multiple ICME tools. The computational framework used and improved in this work is DAMASK - Düsseldorf Advanced Material Simulation Kit. The development work involved (a) transitioning from propriety based input file format to YAML based format designed specifically for defining configuration files that can be processed easily. YAML allows for flexible representation of data, which is essential in setting up a multi-field simulation. To this end, a custom YAML file reader is implemented in DAMASK. Moreover, contributions that ensure a consistent user experience, by providing a stable Application programming interface in the form of DAMASK python processing library, is also discussed. These changes in conjunction with the existing HDF5 format based output file, allows for easier integration of DAMASK with other ICME tools.(b) Enabling modularity, flexibility, and extensibility in the source code to accommodate the complexity associated with multi-physics simulations. The capabilities of the restructured framework is demonstrated by performing coupled simulations of two application examples. The first application example showcase the coupling between the mechanical and thermal field. The thermo-mechanical model considers the heat generated during plastic deformation as a source for the increase in temperature. The variation of mechanical and thermal properties with the change in temperature is also taken into account. The restructured framework allows for the easy representation and calculation of the field dependent material properties. This coupling also shows that physical models provides a more accurate representation of the material behaviour. Here, a dislocation density based plasticity model is used, which provides a physical description of the stored plastic energy. This description is used to calculate the fraction of plastic work dissipated as heat (Taylor-Quinney factor), and it is found to be a non-constant value that increases with plastic strain. This is in contrast to the generally accepted assumption of a constant Taylor-Quinney factor when performing coupled thermo-mechanical simulations. The second application example showcase the coupling between the chemical, mechanical, and damage physics. A model to study the phenomena of solute-assisted grain boundary fracture is developed, which is motivated by the study of hydrogen embrittlement. It required the implementation of a transport model for the solute (diffusion), which is stress driven (mechanics), coupled with the description of the brittle fracture (damage) of the grain boundary using the phase field approach. The dependence of the brittle damage on the local solute composition is implemented in a manner similar to the temperature dependent variables. Here, the implementation and the solving of the coupled model is shown, followed by a detailed study of the model in two separate material systems - defect free, and with defects. The physics of the model is verified in the simple defect-free case. Thereafter, the model is extended to incorporate the effect of defects - dislocation cores, and the grain boundaries, in trapping the solute in a thermodynamically consistent manner. The model limitations and the possible extensions are also discussed. Altogether, an ICME framework is presented, which enables complex multi-field simulations at the grain scale. The key requirements in developing a robust ICME tool is outlined using the example of the software - DAMASK. The technical work, with regards to software development of DAMASK is described that facilitates the coupling of different physics, followed by two application examples. Each of the application examples demonstrates the different aspects related to coupled simulations, and how it could be further improved.