Vibrational properties and phase stability of boron nitride

Yann Le Godec , Jean-Michel Besson , Antonino Marco Saitta
APS March Meeting Abstracts

2001
Structural and Electronic Properties of Semiconductor Quaternary Solid Solutions from Computational Alchemy

Stefano Baroni , Antonino Marco Saitta , Stefano de Gironcoli
APS March Meeting Abstracts

1997
Ab initio molecular dynamics study of topological defects in polymers

Michael L. Klein , Antonino Marco Saitta
APS March Meeting Abstracts

2001
Reply to Bada and Cleaves: Ab initio free-energy landscape of Miller-like prebiotic reactions

Antonino Marco Saitta , Franz Saija , Fabio Pietrucci , François Guyot
Proceedings of the National Academy of Sciences of the United States of America 112 ( 4) 201421035

3
2015
Sulfur radical species form gold deposits on Earth

Gleb S. Pokrovski , Maria A. Kokh , Damien Guillaume , Anastassia Y. Borisova
Proceedings of the National Academy of Sciences of the United States of America 112 ( 44) 13484 -13489

63
2015
Effect of salt on the H-bond symmetrization in ice

Livia Eleonora Bove , Richard Gaal , Zamaan Raza , Adriaan-Alexander Ludl
Proceedings of the National Academy of Sciences of the United States of America 112 ( 27) 8216 -8220

34
2015
Effects of disorder on the optical gap of (Zn,Mg)(S,Se)

Antonino Marco Saitta , Stefano de Gironcoli , Stefano Baroni
Applied Physics Letters 75 ( 18) 2746 -2748

14
1999
Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics.

Félix Mouhat , Sandro Sorella , Rodolphe Vuilleumier , Antonino Marco Saitta
Journal of Chemical Theory and Computation 13 ( 6) 2400 -2417

16
2017
Quantum-driven phase transition in ice described via an efficient Langevin approach

Yael Bronstein , Philippe Depondt , Fabio Finocchi , Antonino Marco Saitta
Physical Review B 89 ( 21) 214101

37
2014
Formation of nucleobases in a Miller–Urey reducing atmosphere

Martin Ferus , Fabio Pietrucci , Antonino Marco Saitta , Antonín Knížek
Proceedings of the National Academy of Sciences of the United States of America 114 ( 17) 4306 -4311

61
2017
Six-fold-coordinated phosphorus by oxygen in AlPO 4 quartz homeotype under high pressure

Julio Pellicer-Porres , Antonino Marco Saitta , Alain Polian , Jean Paul Itié
Nature Materials 6 ( 9) 698 -702

51
2007
Quantum versus classical protons in pure and salty ice under pressure

Yael Bronstein , Philippe Depondt , Livia E. Bove , Richard Gaal
Physical Review B 93 ( 2) 024104

37
2016
Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001).

Sara Laporte , Fabio Finocchi , Lorenzo Paulatto , Marc Blanchard
Physical Chemistry Chemical Physics 17 ( 31) 20382 -20390

19
2015
Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model.

Matthew P. Kroonblawd , Fabio Pietrucci , Antonino Marco Saitta , Nir Goldman
Journal of Chemical Theory and Computation 14 ( 4) 2207 -2218

17
2018
Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios.

Fabio Pietrucci , Antonino Marco Saitta
Proceedings of the National Academy of Sciences of the United States of America 112 ( 49) 15030 -15035

63
2015
Gold speciation in hydrothermal fluids revealed by in situ high energy resolution X-ray absorption spectroscopy

Gleb S Pokrovski , Elsa Desmaele , Clément Laskar , Elena F Bazarkina
American Mineralogist 107 ( 3) 369 -376

5
2022
Ab initio molecular dynamics study of topological defects in polyethylene strands

Antonino Marco Saitta , Michael L Klein
APS March Meeting Abstracts S36. 192 -S36. 192

2000
The trisulfur radical ion S3•− controls platinum transport by hydrothermal fluids

Gleb S Pokrovski , Maria A Kokh , Elsa Desmaele , Clément Laskar
Proceedings of the National Academy of Sciences 118 ( 34) e2109768118 -e2109768118

19
2021
Thermal dependence of the hydrated proton and optimal proton transfer

Félix Mouhat , Matteo Peria , Tommaso Morresi , Rodolphe Vuilleumier
arXiv preprint arXiv:2301.01825

2023