954 citations · 2.7k across the 30 of their papers we have counts for
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Ab-initio molecular dynamics simulation of liquid water by Quantum Monte Carlo
Andrea Zen, Ye Luo, Guglielmo Mazzola +2
Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics sim…
Static and dynamical correlation in diradical molecules by Quantum Monte Carlo using the Jastrow Antisymmetrized Geminal Power ansatz
Andrea Zen, Emanuele Coccia, Ye Luo +2
Diradical molecules are essential species involved in many organic and inorganic chemical reactions. The computational study of their electronic structure is often challenging, bec…
Properties of Reactive Oxygen Species by Quantum Monte Carlo
Andrea Zen, Bernhardt L. Trout, Leonardo Guidoni
The electronic properties of the oxygen molecule, in its singlet and triplet states, and of many small oxygen-containing radicals and anions have important roles in different field…