Rossi group

Publications

Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 61 - 80 of 174 publications
Author(s)
Publication title
Journal Name
Publication year
Ab initio electron-lattice downfolding: Potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials
A Schobert, J Berges, EGCP van Loon, MA Sentef, S Brener, M Rossi, TO Wehling
SciPost Physics
(2024)
16
(doi: 10.21468/scipostphys.16.2.046)
Instantons and the quantum bound to chaos.
VG Sadhasivam, L Meuser, DR Reichman, SC Althorpe
Proc Natl Acad Sci U S A
(2023)
120
(doi: 10.1073/pnas.2312378120)
Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface
M Jacobs, K Fidanyan, M Rossi, C Cocchi
(2023)
Mapping the electronic transitions of protonation sites in peptides using soft X-ray action spectroscopy.
J Leroux, A Kotobi, K Hirsch, T Lau, C Ortiz-Mahecha, D Maksimov, R Meißner, B Oostenrijk, M Rossi, K Schubert, M Timm, F Trinter, I Unger, V Zamudio-Bayer, L Schwob, S Bari
Physical chemistry chemical physics : PCCP
(2023)
25
(doi: 10.1039/d3cp02524a)
Ab initio calculation of electron-phonon linewidths and molecular dynamics with electronic friction at metal surfaces with numeric atom-centred orbitals
CL Box, WG Stark, RJ Maurer
Electronic Structure
(2023)
5
(doi: 10.1088/2516-1075/acf3c4)
Roadmap on electronic structure codes in the exascale era
V Gavini, S Baroni, V Blum, DR Bowler, A Buccheri, JR Chelikowsky, S Das, W Dawson, P Delugas, M Dogan, C Draxl, G Galli, L Genovese, P Giannozzi, M Giantomassi, X Gonze, M Govoni, F Gygi, A Gulans, JM Herbert, S Kokott, TD Kühne, K-H Liou, T Miyazaki, P Motamarri, A Nakata, JE Pask, C Plessl, LE Ratcliff, RM Richard, M Rossi, R Schade, M Scheffler, O Schütt, P Suryanarayana, M Torrent, L Truflandier, TL Windus, Q Xu, VW-Z Yu, D Perez
Modelling and Simulation in Materials Science and Engineering
(2023)
31
(doi: 10.1088/1361-651X/acdf06)
First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images
Y Litman, FP Bonafé, A Akkoush, H Appel, M Rossi
J Phys Chem Lett
(2023)
14
(doi: 10.1021/acs.jpclett.3c01216)
On the Role of Nuclear Motion in Singlet Exciton Fission: The Case of Single‐Crystal Pentacene
A Neef, M Rossi, M Wolf, R Ernstorfer, H Seiler
physica status solidi (a) – applications and materials science
(2023)
221
(doi: 10.1002/pssa.202300304)
Electron transfer at electrode interfaces via a straightforward quasiclassical fermionic mapping approach.
KA Jung, J Kelly, TE Markland
J Chem Phys
(2023)
159
(doi: 10.1063/5.0156136)
Predicting the electronic density response of condensed-phase systems to electric field perturbations.
AM Lewis, P Lazzaroni, M Rossi
Journal of Chemical Physics
(2023)
159
(doi: 10.1063/5.0154710)
A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers
A Akkoush, Y Litman, M Rossi
physica status solidi (a)
(2023)
221
(doi: 10.1002/pssa.202300180)
A Hybrid-DFT Study of Intrinsic Point Defects in $MX_2$ ($M$=Mo, W; $X$=S, Se) Monolayers
A Akkoush, Y Litman, M Rossi
(2023)
Electron transfer at electrode interfaces via a straightforward quasiclassical fermionic mapping approach
KA Jung, J Kelly, TE Markland
(2023)
Dynamical signatures of instantons: insights from path-integral studies
V Sadhasivam
(2023)
(doi: 10.17863/CAM.101873)
Ab initio electron-lattice downfolding: potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials
A Schobert, J Berges, EGCPV Loon, MA Sentef, S Brener, M Rossi, TO Wehling
(2023)
Reconstructing the infrared spectrum of a peptide from representative conformers of the full canonical ensemble
A Kotobi, L Schwob, GB Vonbun-Feldbauer, M Rossi, P Gasparotto, C Feiler, G Berden, J Oomens, B Oostenrijk, D Scuderi, S Bari, RH Meißner
Commun Chem
(2023)
6
(doi: 10.1038/s42004-023-00835-3)
Ab initio study of water dissociation on a charged Pd(111) surface
K Fidanyan, G Liu, M Rossi
Journal of Chemical Physics
(2023)
158
(doi: 10.1063/5.0139082)
Simulating Nuclear Dynamics with Quantum Effects
S Hammes-Schiffer, N Makri, M Rossi
(2023)
Optical classification of excitonic phases in molecular functionalized atomically-thin semiconductors
D Christiansen, M Selig, M Rossi, A Knorr
Physical Review B
(2023)
107
(doi: 10.1103/PhysRevB.107.L041401)
Ab initio study of water dissociation on a charged Pd(111) surface
K Fidanyan, G Liu, M Rossi
(2022)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
Contacts
Directions

Privacy and cookie policy

About the Department

Departmental Services

Study at Cambridge

About the University

Research at Cambridge