Energy

Simulation approaches are used in many industrial applications, including the energy field. They play an essential role in the development and optimization of energy technologies, contributing to the transition to a cleaner and more sustainable energy future.

Materials for Photovoltaics: Model and optimize the properties of materials used in solar cells. Researchers can simulate the behavior of molecules in different materials to improve the efficiency of photovoltaic devices.
Battery Technology: Plays a crucial role in the design and improvement of battery materials. It helps in understanding the electrochemical processes within batteries, optimizing electrode materials, and enhancing the overall performance and lifespan of energy storage devices.
Catalyst Design for Energy Conversion: Employed in the design of catalysts for various energy conversion processes. This includes catalysis for fuel cells, water splitting, and other reactions crucial for energy production and storage.
Carbon Capture and Storage: Study the interactions between materials and carbon dioxide (CO2) for the development of more effective carbon capture and storage technologies. This is essential for mitigating greenhouse gas emissions from industrial processes.
Combustion Modeling: Helps in understanding the molecular dynamics involved in combustion processes. This knowledge is valuable for optimizing combustion in engines and power plants, leading to increased efficiency and reduced emissions.
Hydrogen Production: Applied to study and improve the processes involved in hydrogen production, including catalytic reactions and materials for hydrogen storage. Hydrogen is a key component in various clean energy technologies.
Nuclear Energy Applications: Study of materials used in nuclear reactors, including fuel cladding and coolant interactions. This helps in ensuring the safety and efficiency of nuclear power plants.
Smart Grids and Energy Management: Contributes to the development of advanced materials for energy storage, sensors, and devices used in smart grids and energy management systems. This aids in creating more reliable and efficient energy distribution networks.
Thermoelectric Materials: Employed in the design of thermoelectric materials that can convert waste heat into electrical energy. This has potential applications in improving the efficiency of various industrial processes.
Advanced Materials for Energy Harvesting: Helps in the design of materials for energy harvesting devices, such as piezoelectric materials for converting mechanical vibrations into electrical energy.

Example of growth of nano-catalysts on carbon electrode for hydrogen fuel cell application