Simulations Archives | Arturo Robertazzi

Chemical Space to Material Discovery: Simulations and Machine Learning Leading the Way

How astronomical is chemical space? Immensely so. How do we then discover & design the materials of tomorrow? Computation can give us a hand.

Dive into the age-old debate: “Do we live in a simulation?” Explore experts’ views and join me as we weigh the arguments for and against.

Chemical simulations as the third pillar of research and development? From atomistic insights to sustainability, explore 14 reasons why.

Can quantum simulations of the primordial soup finally crack the mother of all questions: How did Life come to be?

From today’s computers in chemistry to 4 future scenarios of scientific discovery: A post-vacation musing.

How can we search through the 10^100 permutations of battery materials? The answer lies in computer-aided next-generation battery design.

Multiscale simulations of DNA to tackle a challenge of epic proportions: Embark on a computational journey into the essence of our being.

Short answer: yes, we do need quantum computing in chemical R&D. The Long answer is what this story is about.

When you really get down to it, all living things, including humans, are just excitations of the quantum fields. Ergo quantum biology.

The computational design of MOFs to improve stability, mechanical properties, and catalytic capabilities can help save the planet.

What started this whole chemical shebang that we call nature? Quantum nanoreactor simulations of the early universe try to answer.

You wake up and brew yourself a refreshing cup of coffee. Your calendar says it’s 2043. Time to run your daily computational chemistry simulations.