Chemical_Reactivity Archives | Arturo Robertazzi

Can Quantum Chemistry Simulations Help Trace the Origin of Life?

From cosmic crucibles to Earth’s primordial soups, can quantum chemistry simulations help us understand how lifeless molecules sparked life?

Once theoretically predicted, then experimentally confirmed, anion-pi interactions have become central in various fields of chemistry.

To a quantum chemist, every science problem looks like a quantum chemistry problem. Enter ReaxFF molecular dynamics.

Can we really investigate enzymatic reactions and estimate their activation energies with quantum chemistry? Let’s talk “cluster approach.”

Is AI the real deal in drug discovery? And if it is, how exactly is it going to disrupt the drug discovery process?

The discovery of cisplatin: a story of human curiosity and ingenuity inspiring a pivotal turn in medical history.

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.

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

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