(Orcid
https://orcid.org/0000-0002-3097-8523, ResearchId: AAC-1949-2021)
https://www.fisica.uniroma2.it/elenco-telefonico/palummo/
Education/Professional Experience:
Present position: Full professor at the Physics Department of University of Rome “Tor Vergata” (UTOV)
2024-2017: associate professor at the Physics Department of University of Rome “Tor Vergata” (UTOV)
2017-2004 Researcher at Physics Dept of UTOV
2004-1999: INFM Researcher at Physics Dept of UTOV
1998-1996: Post-doc at Physics Dept of UTOV
1996-1995: Post-doc at the ENEA Casaccia research center
1995-1994: INFM Post-doc at Physics Dept of UTOV
1994-1991: PhD fellow in Physics at UTOV
December 1989: "Laurea cum laude" in Physics at UTOV
Scientific expertise:
After a stage in experimental Condensed Matter Physics on the optical properties of defects and color centers in isolant matrices, I am working for many years, in the field of first-principles calculations of the structural and electronic properties of materials. During the PhD thesis, I started to focus on ab-initio calculations, within the density functional theory and many-body perturbation theory, studying the electronic properties of bulk wide band-gap semiconducting compounds, including self-energy corrections. After 1996 I worked on the electronic, linear and nonlinear optical properties of several semiconducting and metal surfaces, clean or covered with atomic and molecular adsorbates. In particular I became expert of reflectance anisotropy and surface differential reflectivity spectra calculations. After 2005, my research activity focused on the first-principle study of the many-body effects of wide-gap and low-gap semiconductor surfaces and also on the dielectric response and electronic excitations of low dimensional systems like Ge and Si nanowires. In the last years two dimensional materials, organic compounds and materials for energy applications like perovskites, is the main of my research activity. Through my work, I earned expertise in computational physics and became familiar with the most modern theories and computational tools of first-principles electronic structure calculations (Car Parrinello, GW method, BSE exciton calculation, parallelization). I am member of the developers/superusers team of the many-body code yambo (www.yambo-code.org). A more detailed description of the main research topics of the last 10 years is given in the following:
2022-2021 i) theoretical characterization of out-of-plane excitons of Lead free layered perovskites ii) extension and application of BSE spinorial formulation to TMD monolayers iii) study of the opto-electronic properties of novel vertical hetero-interfaces for solar harvesting applications
2020-2018 i) study of many-body effects of double perovskites and 2D layered hybrid perovskites ii) Development of an ab-initio approach to compute radiative lifetimes of 0D-to 3D materials iii) study of the excitonic instability of distorted tetragonal Transition Metal Dichalcogenides iv) characterization of the excitonic properties of 2D interfaces based on phosphorene
2017-2014 i) study of many-body effects in layered hybrid halide-perovskites perovskites ii) Development of an ab-initio approach to compute radiative lifetimes of two-dimensional materials with a main focus on transition metal dichalcogenides 2D-TMD
iii) ab-initio electron-phonon non radiative lifetimes in oxide materials and 2D-TMD, iv) ab-initio study of polypitysm in group IV and III-V nanowires and its influence on the electronic and optical properties v) Excitons and their optical peaks in anatase bulk and nanosheets
2013-2011 i) ground-state and excited state first-principles simulation of crystals and oligomers of porphyrines ii) spin-resolved GW calculations on dopant levels in Si-nanowires
iii) self-energy and excitonic effects in two-dimensional materials (TDM, Hybridized Carbon Boron Nitride, tio2-sheets) iv) photoconversion efficiency of 2D-TDM hetero-bilayers and TMD/graphene bilayers for ultra-thin excitonic solar cells by ab-initio DFT and MBPT simulations
Main collaborations external to UTOV in the last ten years:
G. Giorgi (Univ. Perugia), K. Yamashita (Tokyo Univ.), D. Varsano (S3-CNR Modena , G. Cicero (PoliTO), M. Amato (Paris Sud), A. Zobelli (Paris Sud), E. Cannuccia (Univ. Marseille) , C. Attaccalite (CNRS, Marseille) J.C. Grossman (MIT), M.Bernardi (Caltech), D. Sangalli (CNR-ISM), A. Marini (ISM-CNR Rome), L. Chiodo (Campus Biomedico Roma), R. Rurali (ICMAB, Barcelona) , S. Ossicini (Modena Univ.), A. Rubio (San Sebastian, Spain)
Scientific Keywords:
ab-initio, DFT, GW, BSE, excitons, surfaces, interfaces, organic compounds, nanomaterials, photovoltaics
Investigation tools: ground and excited state ab-initio simulations: Plane-wave codes:
Quantum-espresso,ABINIT, VASP; Many-body codes: YAMBO, EXC, DP etc
Programming Languages: f90, script shell languages, python
Scientific Impact:
Author of more than 140 articles (130 on isi), most of them in international peer-reviewed journals, several book chapters and 4 review articles among them 1 Nat Physics 1 Nat. nanotechnology, 1 Nat Comm,1 Chem Rev, 2 Advanced Functional Materials, 2 ACS nano, 1 ACS energy letter, 5 Nano Letters, npj 2D Materials and Applications3 JPCL, 2 JPCC, 5 PRL, 2 JCP, 27 PRB
Total number of citations (isi/Google scholar) : 5131/6193. Average per item (isi): 38.34.
h-index (isi/Google Scholar): 34 / 37 Number of citations (last 15 years 2008-2022): 3204
CV of Maurizia Palummo Education/Professional Experience: Present position: Full Professor at the Physics Department of "Tor Vergata" University (UTOV) (with scientific National qualification 2016 02/B2 full professor) 2024-2017: Associate Professor at the Physics Department of "Tor Vergata" University (UTOV), 2017-2004: Researcher at the Physics Department of "Tor Vergata" University (UTOV) 2004-1999: INFM Researcher 1998-1996: Post-doc at UTOV 1996-1995: Associated Researcher at the ENEA Casaccia research center 1995-1994: INFM Associated Researcher at UTOV 1994-1991: PhD fellow in Physics at UTOV December 1989: "Laurea cum laude" in Physics at UTOV Scientific expertise: After a stage in experimental Condensed Matter Physics on the optical properties of defects and color centers in isolant matrices, MP is working for many years, in the field of first-principles calculations of the structural and electronic properties of materials. During my PhD thesis, MP started to focus on ab-initio calculations, within the density functional theory and many-body perturbation theory, studying of the electronic properties of bulk wide band-gap semiconducting compounds, including self-energy corrections. After 1996 MP worked on the electronic, linear and non linear optical properties of several semiconducting and metal surfaces, clean or covered with atomic and molecular adsorbates. In particular she is expert of reflectance anisotropy and surface differential reflectivity spectra calculations. In the last years, her research activity focused on the first-principle study of the many-body effects of wide-gap and low-gap semiconductor surfaces and also on the dielectric response and electronic excitations of low dimensional systems like Ge and Si nanowires, two dimensional materials and organic compounds. Trough her work, she earned expertise in computational physics and became familiar with the most modern theories and computational tools of first-principles electronic structure calculations (Car Parrinello, GW method, exciton calculation, parallelization). A more detailed description for the last 10 years is given in the following: 2016-2014 i) Development of an ab-initio approach to compute radiative lifetimes of two-dimensional transition metal dichalcogenides 2D-TMD ii) ab-initio electron-phonon non radiative lifetimes in oxide materials and 2D-TMD, iii) ab-initio study of polypitysm in group IV and III-V nanowires and its influence on the electronic and optical properties 2013-2011 i) ground-state and excited state first-principles simulation of crystals and oligomers of porphyrines ii) spin-resolved GW calculations on dopant levels in Si-nanowires iii) self-energy and excitonic effects in two-dimensional materials (TDM, Hybridized Carbon Boron Nitride, tio2-sheets) iv) photoconversion efficiency of 2D-TDM hetero-bilayers and TMD/graphene bilayers for ultra-thin excitonic solar cells by ab-initio DFT and MBPT simulations 2010-2006 i) electronic and optical properties of Si,Ge and Si/Ge Nanowires with inclusion of many-body effects ii) GW and BSE calculations of free-base porphyrines molecules Scientific Keywords : ab-initio, DFT, GW, BSE, excitons, surfaces, interfaces, organic compounds, nanomaterials, photovoltaics Investigation tools: ground and excited state ab-initio simulations: Plane-wave codes: ABINIT,PWSCF, VASP; Many-body codes: YAMBO, EXC, DP etc Programming Languages: f90, script shell languages, python Scientific Impact Author of more than 100 articles most of them in international peer-reviewed journals, several book chapters and two review articles. 92 on ISI web, among them 1 Chem Rev, 1 AFM, 1 ACS nano, 4 Nanoletters, 2 JPCC, 5 PRL, 2 JCP, 25 PRB,1 PCCP; 1 Nat Comm., 1 JCPL Bibliometric indexes: -Total number of citations: -h-index: 25 (ISI Web); 29 (Google Scholar) several posters and orals and more than 30 Invited talks at International conferences/workshops/schools (one at MRS and 2 at EMRS conferences) (At least 10 invited talks at International conferences refused in the last two years for lack of funds). Referee activities: -Editorial Board member of Scientific Reports (Nature publishing group); -Referee for APS,ACS, RCS and Elsevier journals; -Project reviewer for : American NSF, Estonian and Austrian Science foundations, French National Agency and ISCRA-B Cineca projects Professional recognitions: - Visiting scientist (with fellowship) at the Dept. of Chemistry -Univ. of Tokyo (1-11 March 2016) Group Prof. K. Yamashita - Visiting Professor at MIT (with fellowship) - Group Prof. J.C. Grossman: Summer 2012, January 2013, July 2014 and March 2015. -ESF Short Visit Grant award July 2013 (Grenoble). - Several publications selected for the Virtual Journal of Nanoscale Science & Technology -Research on Si/Ge Nanowires for PV applications featured on (http://www.lobbyinnovazione.it) -Research related to Ultra-thin Photo-Voltaics based on monolayer materials, published on Nano Letters 2013, featured on MIT homepage (http://web.mit.edu/newsoce/2013/thinner-solar-panels-0626.html), materials online (http://www.materials360online.com/newsDetails/40780), optics news (http://optics.org/news/4/7/10), and other web sites like photonics news; climate change website; breaking energy An interview appeared on Hungton Post of 28 June 2013 (http://www.hungtonpost.it) -External referee of the PhD thesis of Dr. Roberto Cardia, University of Cagliari -Member of the committee of the final exam for the XX PhD course "in Physics and Nanoscience" Univ. Modena e Reggio Emilia, 3/2/2015 -Member of the committee for the admission exam to the XXX PhD course "Modelli matematici per ingegneria, elettromagnetismo e nanoscienze" Univ. Roma La Sapienza 6/10/2014 -Member of the committee of the final PhD exam of Dr. Leonardo Espinosa, San Sebastian Spagna 22/10/2013 -International Referee of the PhD thesis of Dr. Matteo Govoni 2013 Ecole Politecnique, Paliseau France (2012) Main active collaborations external to UTOV : J.C. Grossman (MIT) , M.Bernardi (Caltech) G. Giorgi, K. Yamashita (Tokyo Univ.) , R. Rurali (ICMAB, Barcelona) , S. Ossicini (Modena Univ.), M.Amato (Paris Sud), A. Rubio (San Sebastian, Spain), G. Cicero (PoliTO), A. Marini (ISM-CNR Rome), D. Varsano (S3-CNR Modena) Organization and Managements: -Member of the Organizing Committee of several International Conferences (Nanoquanta 2002-2005), workshops (NW2010,NW2011,NW2012,CECAM 2013) and schools (Yambo School Cecam 2015, Yambo school Cineca 2014) -Since 2001, MP has participated in drafting more than twenty scientific national and European projects, as member of the Rome node or PI. In particular as PI/co-PI she applied in the last years for an European FP7-NMP-2011 n.280723 project, a Italy/USA bilateral project n. PGR01381, a Italy/France bilateral Galileo project (2013), an “Uncovering excellence” project of the university of Tor Vergata, a Samsung GRO 2015 project. The list of financed projects is: PRIN2002 (member), PRIN2005028257_004 (member), PRIN20079XA4HW_004 (member), INNESCO 2003-2005 (member) , Eu-Nanophase HPRN-CT-2000-00167 (member) , Eu-Nanoquanta NMP4-CT-2004-500198 (member) , Eu-I3-ETSFn. RI-211956 (member); two ESF research networking projects to fund organized Cecam workshops/schools (co-proponent). An Italy/France Galileo project (2015) and a MISTI 2016 (bilateral project with MIT) are still under referee action. In the last ten years MP has been: - PI of three ISCRA-C supercomputing projects - Member of six ISCRA-C supercomputing projects - PI of three Iscra-B supercomputing projects - Member of three Iscra-B supercomputing projects - Member of a DECI-6 and DECI-7 projects - PI/member of scientific teams of 10 ETSF collaborative and/or training proposals - Host of two European researchers (M. Voros and F. Iori) within the HPC-Europa2 Transnational Access Programme Teaching experience: Responsible of several Bachelor, master and PhD thesis. Since 2010 Professor of Solid State Physics (Master Degree in Physics, UTOV) Since 2012, Professor of Solid State Theory and molecular models, (Master Degree in Material Science, UTOV) Since 2012 Series of Lectures in “Quantum Theory of Solids” course- Prof. O. Pulci, (Master Degree in Physics, UTOV) A.A. 2011-2013, Series of Lectures "Introduction to Many-Body Perturbation Theory", PhD in Physics courses, UTOV A.A. 2004-2005 e 2005-2006, Professor of Mathematical Methods for Material Science, (Bachelor Degree in Material Science, UTOV) A.A. 2002-2011, Assistant Professor of Atomic and Molecular Physics (Prof. Fanfoni, Bachelor Degree in Material Science, UTOV) and then Structure of Matter (Bachelor Physics Degree UTOV) A.A. 2000-2001 e 2001-2002, Assistant Professor of Classical Physics for Biologists (UTOV) For more info see the personal web page www.fisica.uniroma2.it/~palummo
Curriculum breve in italiano (massimo 2000 car.)