My_Research Archives | Arturo Robertazzi

17 April 202428 April 2024By 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?

27 March 20243 May 2024By Arturo Robertazzi

Quantistry €3 Million Thank You: Let’s Shape the Future of R&D from Quantum to AI

At Quantistry, we are celebrating a significant milestone: €3 million funding to transform chemical and material R&D. From Quantum to AI.

18 March 202428 April 2024By Arturo Robertazzi

Anion-Pi Interactions: Exploring The Land of Opportunity in Chemistry

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

8 March 202427 April 2024By Arturo Robertazzi

Serendipity in Science: What’s its Fate in the Age of AI?

What’s serendipity? Where does AI fit into the picture? And what can we anticipate for the future of scientific discovery?

27 February 202428 April 2024By Arturo Robertazzi

ReaxFF Molecular Dynamics: Simulating Complexity Beyond Quantum Chemistry

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

17 February 202427 April 2024By Arturo Robertazzi

When Will RNA Structure Prediction Get Its AlphaFold Breakthrough?

We’ve mastered predicting protein structures from their sequences. Can we now replicate this success with RNA structure prediction?

28 January 202427 April 2024By Arturo Robertazzi

All-Atom Molecular Dynamics of SARS-CoV-2: The Computational Microscope’s View of 305 Million Atoms

All-atom molecular dynamics simulations of the SARS-CoV-2 virus, featuring 305 million atoms! Is that even possible? Yes, it is.

18 January 202428 April 2024By Arturo Robertazzi

Enzymatic Reactions: Quantum Chemistry Modeling of Life’s Catalysts

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

8 January 202427 April 2024By Arturo Robertazzi

Machine Learning in Materials Science: A Second Computational Revolution?

The journey of machine learning in materials science is just at the beginning. Yet, its impact is already clear.

9 December 202319 April 2024By Arturo Robertazzi

Graphene to Wisdom: 10 Life Lessons Inspired by Geim’s Nobel Lecture

Andre Geim’s Nobel lecture is a goldmine of science-inspired life lessons. Eager to dig deeper into the wisdom of he who discovered graphene?

29 November 202328 April 2024By Arturo Robertazzi

AI in Drug Discovery: Chasing Dreams, Facing Realities

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

19 November 202327 April 2024By Arturo Robertazzi

Is Machine Learning Going to Replace Computational Chemists?

Machine learning is all over: drug discovery, material design, protein structure prediction. As computational chemists, should we be worried?

30 October 202328 April 2024By Arturo Robertazzi

The Lifesaving Hunch: How Rosenberg’s Unexpected Discovery of Cisplatin Changed Medicine

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

26 June 202327 April 2024By Arturo Robertazzi

7 Noncovalent Interactions in Proteins: The Hidden Architects of Structures and Functions

Noncovalent interactions in proteins: the flexible wonders that bestow proteins the magic of three-dimensionality.

25 May 202328 April 2024By Arturo Robertazzi

Multiscale Simulations of DNA: From Quantum Effects To Mesoscopic Processes

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

1 May 202327 April 2024By Arturo Robertazzi

Quantum Biology: The Fuzzy Connection Between Quantum Mechanics and Living Things

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

14 March 202327 April 2024By Arturo Robertazzi

Computational Chemistry 2043: A Quantum Peep into the Future

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.

26 February 202327 April 2024By Arturo Robertazzi

The Evolution of Quantum Chemistry: From Pencil and Paper to Quantum Computing

How did quantum chemistry evolve from the early days when Schrödinger wrote down his equation to today’s quantum computing hype?

The true story of how I went from almost having to leave Berlin to contributing to the discovery of the anion-π Interactions in proteins.

3 February 202327 March 2024By Arturo Robertazzi

Holy Crap, Did We Just Discover a New Type of Chemical Bond?

The true story of how I went from almost having to leave Berlin to contributing to the discovery of the anion-pi Interactions in proteins.

19 January 202318 February 2024By Arturo Robertazzi

Unveiling Literature’s Genetic Code: Bioinformatics Meet Shakespeare

Shakespeare’s DNA? Dante’s RNA Infernal Structures? Discover Literature’s Genetic Code through bioinformatics.