top of page
Viki_Kumar_Prasad_edited_edited.jpg

Prasad Research Group

DALLE_9.webp

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.

​

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.

About
Dots_edited_edited.jpg

News

Team

November 27, 2024

Prasad Research Group website goes live

Highlights

Theme3.png

Quantum Computing

Machine Learning

Theme1_edited.png

Quantum Chemistry

Data-driven Chemistry

Research

Heteroatom-Vacancy Centres in Molecular Nanodiamonds: A Computational Study of Organic Molecules Possessing Triplet Ground States Through σ-Overlap

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.

Join Us

Begin or enhance your career in computational chemistry with the Prasad Research Group! We seek enthusiastic individuals with diverse backgrounds to become part of our vibrant team. Engage in cutting-edge research in a supportive, state-of-the-art facility located in Calgary, one of Canada's liveliest cities. Innovation, teamwork, and growth are the pillars of our work ethic.

Advance the Understanding
and Application of Computational Chemistry

banner_others_edited.png
bottom of page