We develop cutting-edge software and AI solutions for small molecule design, optimization and data analysis. Our mission is ...

Theoretical and computational chemistry form a synergistic field that harnesses the rigorous principles of quantum mechanics alongside sophisticated numerical simulations to elucidate molecular ...

The process of discovering and designing new chemicals has always been arduous—Sijia Dong wants to change that. As an ...

In this video, the Microsoft Quantum Team describes how Quantum computers have the potential to solve the world’s hardest computational problems and alter the economic, industrial, academic, and ...

In the rapidly evolving field of computational intelligence, there is a pressing demand for advanced tools and algorithms ...

Current and former researchers with the Engineer Research and Development Center celebrated the publication of their fourth book in a series on computational chemistry this month. The editors tapped ...

Quantum computers, computing systems that process information leveraging quantum mechanical effects, could soon outperform ...

It’s hard to overestimate the impact of computer-based calculations on chemistry. Even if measured strictly by the importance of quantum mechanical calculations, which many chemists consider ...

The word "biofuel" sounds positively healthy. But even diesel based on organically grown corn can degrade into toxic and environmentally harmful end products if produced with the wrong method. Now a ...

Professionals in agriculture, defense and security, environmental monitoring, food quality analysis, industrial quality ...