Empowering Innovation with Computational Chemistry
Our Mission
We in the Prasad Research Group are dedicated to advancing the frontiers of computational quantum science and technology for chemistry through the integration of quantum computing principles and machine learning algorithms. At the heart of our mission lies a commitment to excellence, integrity, and impact while exploring the unknown. We strive to unlock the potential of quantum mechanics and data science to revolutionize our understanding and application of chemical processes.
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The Prasad Research Group aims to lead the way in driving innovation. Our team is united by a passion for a shared vision of accelerating the discovery and design process and addressing some of the most challenging questions in chemistry and beyond. Our goal is to pave the way for groundbreaking advancements, creating a lasting impact on society by contributing to progress in technology, health, energy, and environmental sustainability.
Research
Featured
VK Prasad, A Otero-de-la-Roza, GA DiLabio, Machine Learning: Science and Technology 5 (1), 015035
This work introduces a technique that uses property-specific atom-centered potentials approach to facilitate the generation of large and accurate data sets at lower computational costs, addressing the challenge of needing extensive resources for training data generation in deep learning model development.