Rossi M - Search Results

1

Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.

Al-Hamdani YS, Rossi M, Alfè D, Tsatsoulis T, Ramberger B, Brandenburg JG, Zen A, Kresse G, Grüneis A, Tkatchenko A, Michaelides A. Al-Hamdani YS, et al. Among authors: rossi m. J Chem Phys. 2017 Jul 28;147(4):044710. doi: 10.1063/1.4985878. J Chem Phys. 2017. PMID: 28764374

2

Unraveling the stability of polypeptide helices: critical role of van der Waals interactions.

Tkatchenko A, Rossi M, Blum V, Ireta J, Scheffler M. Tkatchenko A, et al. Among authors: rossi m. Phys Rev Lett. 2011 Mar 18;106(11):118102. doi: 10.1103/PhysRevLett.106.118102. Epub 2011 Mar 16. Phys Rev Lett. 2011. PMID: 21469900

3

Role of methyl-induced polarization in ion binding.

Rossi M, Tkatchenko A, Rempe SB, Varma S. Rossi M, et al. Proc Natl Acad Sci U S A. 2013 Aug 6;110(32):12978-83. doi: 10.1073/pnas.1302757110. Epub 2013 Jul 22. Proc Natl Acad Sci U S A. 2013. PMID: 23878238 Free PMC article.

4

Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals.

Marom N, Tkatchenko A, Rossi M, Gobre VV, Hod O, Scheffler M, Kronik L. Marom N, et al. Among authors: rossi m. J Chem Theory Comput. 2011 Dec 13;7(12):3944-51. doi: 10.1021/ct2005616. Epub 2011 Nov 10. J Chem Theory Comput. 2011. PMID: 26598340

5

Stability of Complex Biomolecular Structures: van der Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects.

Rossi M, Fang W, Michaelides A. Rossi M, et al. J Phys Chem Lett. 2015 Nov 5;6(21):4233-8. doi: 10.1021/acs.jpclett.5b01899. Epub 2015 Oct 12. J Phys Chem Lett. 2015. PMID: 26722963

6

Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs.

Fang W, Chen J, Rossi M, Feng Y, Li XZ, Michaelides A. Fang W, et al. Among authors: rossi m. J Phys Chem Lett. 2016 Jun 2;7(11):2125-31. doi: 10.1021/acs.jpclett.6b00777. Epub 2016 May 24. J Phys Chem Lett. 2016. PMID: 27195654 Free PMC article.

7

Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature.

Litman Y, Donadio D, Ceriotti M, Rossi M. Litman Y, et al. Among authors: rossi m. J Chem Phys. 2018 Mar 14;148(10):102320. doi: 10.1063/1.5002537. J Chem Phys. 2018. PMID: 29544260

8

Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au.

Kumagai T, Ladenthin JN, Litman Y, Rossi M, Grill L, Gawinkowski S, Waluk J, Persson M. Kumagai T, et al. Among authors: rossi m. J Chem Phys. 2018 Mar 14;148(10):102330. doi: 10.1063/1.5004602. J Chem Phys. 2018. PMID: 29544333 Free article.

9

Beyond GGA total energies for solids and surfaces.

Zen A, Grüneis A, Alfè D, Rossi M. Zen A, et al. Among authors: rossi m. J Chem Phys. 2022 Aug 7;157(5):050401. doi: 10.1063/5.0107716. J Chem Phys. 2022. PMID: 35933211 No abstract available.

10

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations.

Litman Y, Kapil V, Feldman YMY, Tisi D, Begušić T, Fidanyan K, Fraux G, Higer J, Kellner M, Li TE, Pós ES, Stocco E, Trenins G, Hirshberg B, Rossi M, Ceriotti M. Litman Y, et al. Among authors: rossi m. J Chem Phys. 2024 Aug 14;161(6):062504. doi: 10.1063/5.0215869. J Chem Phys. 2024. PMID: 39140447

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

6,456 results

Search Page

Filters