Pico-to-GIGA Simulation Lab (p2G Lab)

“Leveraging advanced computational methods, we simulate catalysis, thermodynamics, and processes for energy sustainability.”

Welcome to the p2G Lab, where we harness the power of simulation to drive innovation in green technology and sustainable energy. Our name, “pico-to-GIGA,” reflects a cross-scale vision: from the tiniest atomic interactions at the pico scale to large-scale (GIGA) industrial processes, we bridge fundamental science and real-world applications. We combine expertise in physics, chemistry, and engineering with cutting-edge computational tools to develop solutions for a sustainable future. In our lab, advanced numerical methods and a passion for clean energy come together to address some of today’s most pressing challenges.

Research Areas & Computational Methods

Our research spans multiple scales and disciplines, all centered on simulation-based exploration of sustainable energy and environmental technologies. We employ a wide range of computational methods – including machine learning, density functional theory (DFT), computational fluid dynamics (CFD), molecular dynamics (MD), statistics, quantum computing, and process simulation – to tackle complex problems. Key focus areas include:

• Catalysis & Reaction Mechanisms: We study catalytic processes at the molecular and electronic level to design better reaction systems for clean energy conversion. Using density functional theory and molecular dynamics simulations, our team uncovers how reactions proceed on catalyst surfaces and in novel materials. These atomistic insights help us develop catalysts for applications like carbon dioxide conversion, hydrogen production, and pollution abatement, moving us closer to more efficient and eco-friendly chemical reactions.
  
  

• Thermodynamics & Molecular Modeling: Understanding thermodynamics is crucial for efficient energy systems. We use molecular modeling and statistical simulations to investigate the thermodynamic properties of materials and reactions in green technologies. Molecular dynamics allows us to probe phenomena like heat transfer at the nanoscale or the behavior of novel materials for energy storage. By predicting phase behavior, reaction energetics, and material stability, we ensure that new processes and materials will perform reliably and efficiently under real-world conditions.
  
  

• Fluid Dynamics & Process Simulation: Scaling up sustainable technologies from the lab to industrial scale is a core part of our mission. We apply computational fluid dynamics (CFD) and process simulation tools to model reactors, batteries, and other complex systems. By simulating fluid flow, heat and mass transfer, and chemical reactions in full-scale processes, we can optimize designs for efficiency and safety. This might involve designing a reactor for biofuel production, improving a carbon capture system, or analyzing the aerodynamics of a wind-energy device. Our simulations from pico-scale insights to giga-scale processes ensure that innovations in green technology can be translated into practical, large-scale solutions.
  
  

• Machine Learning & Quantum Computing: Data-driven and emerging computational techniques amplify our research across all areas. We employ machine learning algorithms to analyze large datasets, recognize patterns, and even guide simulations (for example, by accelerating the discovery of new materials or optimizing process parameters). These AI-driven approaches can drastically reduce computation time and reveal insights that might be missed by traditional methods. Additionally, we are exploring quantum computing as a frontier for simulation and optimization. Quantum algorithms have the potential to solve certain chemistry and materials problems more efficiently than classical computers, and we aim to leverage that power as the technology matures. By integrating machine learning and keeping an eye on quantum advancements, the P2G Lab stays at the cutting edge of computational research, ensuring we use the best tools available for sustainable innovation.
  
  

Lab Culture & Values

At the P2G Lab, we foster a professional yet welcoming environment that encourages creativity and collaboration. We believe that great research happens when talented individuals share ideas freely and work together towards common goals. Communication and teamwork are at the heart of our lab culture – we value members who are not only technically skilled but also strong communicators who enjoy collaborating across disciplines. Chemists, physicists, data scientists, and engineers in our team regularly exchange insights, learning from each other’s expertise.

Our lab prides itself on being an inclusive and supportive community. Open discussions, regular group meetings, and brainstorming sessions are part of our routine, ensuring everyone’s voice is heard. Mentorship and continuous learning are strongly encouraged: senior researchers guide newcomers, and students are empowered to present their ideas and take initiative. We know that innovation thrives in a team setting, so we celebrate our successes together and tackle challenges with a cooperative spirit. In short, the P2G Lab is more than a workplace – it’s a team of passionate individuals united by a commitment to sustainability and scientific excellence.

Join Us – Collaboration & Opportunities

We warmly invite students, researchers, and industry partners who share our passion for sustainability and simulation to connect with us. Whether you are a prospective graduate student eager to delve into computational research, a postdoctoral researcher looking for an interdisciplinary team, or an organization seeking academic collaboration, there is a place for you in the P2G Lab. We are always on the lookout for motivated people who are excited about applying advanced computational methods to real-world energy and environmental problems.

Feel free to explore our website to learn more about our projects, publications, and the team behind the P2G Lab. If you’re interested in joining us or collaborating, reach out – we believe that fresh perspectives and new partnerships are key to driving innovation. Together, leveraging our combined expertise from the pico scale to the GIGA scale, we can advance the frontiers of green technology and help build a more sustainable future.