Mariana Rossi

Identifiers

• name variant Mariana Rossi 0.60 · backfill

Papers (15)

1. Roadmap on Advancements of the FHI-aims Software Package cond-mat.mtrl-sci · 2025 · author #154
2. An Assessment of Approximate Methods for Anharmonic Free Energies cond-mat.mtrl-sci · 2019 · author #3
3. Anharmonic Effects in the Low-Frequency Vibrational Modes of Aspirin and Paracetamol Crystals physics.chem-ph · 2019 · author #3
4. Modulation of the Work Function by the Atomic Structure of Strong Organic Electron Acceptors on H-Si(111) cond-mat.mtrl-sci · 2018 · author #6
5. Elucidating the NuclearQuantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene physics.chem-ph · 2018 · author #4
6. All-Electron, Real-Space Perturbation Theory for Homogeneous Electric Fields: Theory, Implementation, and Application within DFT cond-mat.mtrl-sci · 2018 · author #5
7. Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature physics.chem-ph · 2017 · author #4
8. Fine Tuning Classical and Quantum Molecular Dynamics using a Generalized Langevin Equation physics.chem-ph · 2017 · author #1
9. Stability of Complex Biomolecular Structures: Vander Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects physics.chem-ph · 2016 · author #1
10. Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs physics.chem-ph · 2016 · author #3
11. Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol cond-mat.mtrl-sci · 2016 · author #1
12. On the Consistency of Approximate Quantum Dynamics Simulation Methods for Vibrational Spectra in the Condensed Phase physics.chem-ph · 2014 · author #1
13. How to remove the spurious resonances from ring polymer molecular dynamics physics.chem-ph · 2014 · author #1
14. Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length physics.chem-ph · 2012 · author #1
15. Theoretical study of N-complexes in carbon nanotubes cond-mat.other · 2007 · author #1

Mentions

• 1208.6133 #1 · backfill · confidence 0.70 Mariana Rossi

Frequent Coauthors

• Michele Ceriotti 7 shared papers
• Matthias Scheffler 4 shared papers
• Nathaniel Raimbault 3 shared papers
• Yair Litman 3 shared papers
• Angelos Michaelides 2 shared papers
• Christian Carbogno 2 shared papers
• Honghui Shang 2 shared papers
• Patrick Rinke 2 shared papers
• Venkat Kapil 2 shared papers
• Volker Blum 2 shared papers
• Wei Fang 2 shared papers
• Adalberto Fazzio 1 shared papers
• Akhil S. Nair 1 shared papers
• Alaa Akkoush 1 shared papers
• Alan Lewis 1 shared papers
• Alastair J. A. Price 1 shared papers
• Alberto Ambrosetti 1 shared papers
• Alberto Garcia 1 shared papers
• Alberto Otero-de-la-Roza 1 shared papers
• Alexander Knoll 1 shared papers