Mariana Rossi

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Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-Gesellschaft確認したメールアドレス: fhi-berlin.mpg.de
Michele CeriottiAssociate Professor at EPFL, Institute of Materials確認したメールアドレス: epfl.ch
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NC確認したメールアドレス: duke.edu
Yair LitmanWalter Benjamin Research Fellow, Yusuf Hamied Department of Chemistry, University of Cambridge確認したメールアドレス: cam.ac.uk
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSC確認したメールアドレス: uni.lu
Takashi KumagaiFritz-Haber Institute確認したメールアドレス: fhi-berlin.mpg.de
Gert von HeldenSenior Staff Researcher, Fritz-Haber-Institut der Max-Planck-Gesellschaft確認したメールアドレス: fhi-berlin.mpg.de
Carsten BaldaufFritz-Haber-Institut der MPG確認したメールアドレス: fhi-berlin.mpg.de
David ManolopoulosUniversity of Oxford確認したメールアドレス: chem.ox.ac.uk
Gerard MeijerUniversity Nijmegen確認したメールアドレス: fhi-berlin.mpg.de
Angelos MichaelidesUniversity of Cambridge確認したメールアドレス: cam.ac.uk
Antonio Jose Roque da SilvaInstituto de Física - Universidade de São Paulo確認したメールアドレス: if.usp.br
Adalberto FazzioDirector, Brazilian Nanotechnology National Laboratory (LNNano/CNPEM)確認したメールアドレス: lnnano.cnpem.br
Kevin PagelProfessor for Bioorganic Chemistry, Freie Universität Berlin確認したメールアドレス: fu-berlin.de
Venkat KapilLecturer (Assistant Professor), Department of Physics & Astronomy, University College London確認したメールアドレス: ucl.ac.uk
Norbert KochInstitut für Physik & IRIS Adlershof, Humboldt-Universität zu Berlin and Helmholtz-Zentrum Berlin確認したメールアドレス: physik.hu-berlin.de
Noa MaromAssociate Professor, Materials Science and Engineering, Carnegie Mellon University確認したメールアドレス: andrew.cmu.edu
Vivekanand Vaman GobreAssistant Professor at School of Chemical Sciences, Goa University確認したメールアドレス: unigoa.ac.in
Leeor KronikWeizmann Institute of Science確認したメールアドレス: weizmann.ac.il
Wei FangFudan University確認したメールアドレス: fudan.edu.cn

フォロー

Mariana Rossi

Head of Independent Lise Meitner Group, MPI for Structure and Dynamics of Matter, Hamburg

確認したメールアドレス: mpsd.mpg.de - ホームページ

Condensed matter physics Chemical Physics Hydrogen Dynamics 2D Materials


タイトル引用回数順公開年順タイトル順	引用先引用先	年
i-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ... Computer Physics Communications 236, 214, 2019	348	2019
Dispersion interactions with density-functional theory: Benchmarking semiempirical and interatomic pairwise corrected density functionals N Marom, A Tkatchenko, M Rossi, VV Gobre, O Hod, M Scheffler, L Kronik Journal of Chemical Theory and Computation 7 (12), 3944-3951, 2011	329	2011
How to remove the spurious resonances from ring polymer molecular dynamics M Rossi, M Ceriotti, D Manolopoulos Journal of Chemical Physics 140, 234116, 2014	273	2014
Designing real nanotube-based gas sensors AR Rocha, M Rossi, A Fazzio, AJR da Silva Physical review letters 100 (17), 176803, 2008	150	2008
Isomer-selective detection of hydrogen-bond vibrations in the protonated water hexamer N Heine, MR Fagiani, M Rossi, T Wende, G Berden, V Blum, KR Asmis Journal of the American Chemical Society 135 (22), 8266-8273, 2013	142	2013
Unraveling the stability of polypeptide helices: Critical role of van der Waals interactions A Tkatchenko, M Rossi, V Blum, J Ireta, M Scheffler Physical review letters 106 (11), 118102, 2011	137	2011
Semiconducting Nanowire-Based Optoelectronic Fibers W Yan, Y Qu, TD Gupta, A Darga, DT Nguyên, AG Page, M Rossi, ... Advanced Materials, 2017	118	2017
Secondary Structure of Ac-Ala_n-LysH⁺ Polyalanine Peptides (n = 5,10,15) in Vacuo: Helical or Not? M Rossi, V Blum, P Kupser, G von Helden, F Bierau, K Pagel, G Meijer, ... The Journal of Physical Chemistry Letters 1 (24), 3465-3470, 2010	97	2010
Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase M Rossi, H Liu, F Paesani, JB Bowman, M Ceriotti Journal of Chemical Physics 141, 181101, 2014	95	2014
Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol M Rossi, P Gasparotto, M Ceriotti Physical Review Letters 117, 115702, 2016	90	2016
Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals N Raimbault, A Grisafi, M Ceriotti, M Rossi New Journal of Physics, 2019	81	2019
Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene Y Litman, JO Richardson, T Kumagai, M Rossi J. Am. Chem. Soc. 141, 2526, 2019	79	2019
Fine Tuning Classical and Quantum Molecular Dynamics using a Generalized Langevin Equation M Rossi, V Kapil, M Ceriotti J. Chem. Phys., 2017	77	2017
Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs W Fang, J Chen, M Rossi, Y Feng, XZ Li, A Michaelides J. Phys. Chem. Lett. 7, 2125-2131, 2016	66	2016
Stability of complex biomolecular structures: van der Waals, hydrogen bond cooperativity, and nuclear quantum effects M Rossi, W Fang, A Michaelides The journal of physical chemistry letters 6 (21), 4233-4238, 2015	66	2015
Nuclear Quantum Effects in H+ and OH- Diffusion Along Confined Water Wires M Rossi, M Ceriotti, DE Manolopoulos J. Phys. Chem. Lett. 7 (15), 3001–3007, 2016	64	2016
Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala 19-Lys+ H+ vs. Ac-Lys-Ala 19+ H+ and the current reach of DFT F Schubert, M Rossi, C Baldauf, K Pagel, S Warnke, G von Helden, ... Physical Chemistry Chemical Physics 17 (11), 7373-7385, 2015	61	2015
An Assessment of Approximate Methods for Anharmonic Free Energies V Kapil, E Engel, M Rossi, M Ceriotti J. Chem. Theor. Comput., 2019	60	2019
Going clean: structure and dynamics of peptides in the gas-phase and paths to solvation C Baldauf, M Rossi Journal of Physics: Condensed Matter 27, 493002, 2015	55	2015
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy YS Al-Hamdani, M Rossi, D Alfe, T Tsatsoulis, B Ramberger, ... The Journal of chemical physics 147 (4), 2017	54	2017

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