MaX researchers

Elisa Molinari
CNR-Istituto Nanoscienze, S3 Modena & University of Modena and Reggio Emilia (Dept. of Physics, Informatics and Mathematics)
via Campi 213/A, 41125 Modena, Italy
ph. +39 059 2055628
fax +39 059 2055651
personal webpage
Bio:
Elisa Molinari is full professor of Condensed Matter Physics at Unimore, University of Modena and Reggio Emilia (IT) and Head of the NANO-CNR S3 Research Center, Modena.
Her main research interests are in computational materials science and nanotechnologies. She has been particularly active in the theory of fundamental properties of low-dimensional structures, in the simulation of nano(bio)nanodevices, in the development of related computational methods. She has a continuing interest in scientific imaging and communication.
Team:
Andrea Ferretti
Daniele Varsano
Deborah Prezzi
Ivan Marri
Miki Bonacci
Dario Alejandro Leon Valido
Maria Celeste Maschio
Claudia Cardoso
Andrea Marini
Davide Sangalli
Paolo Giannozzi
Stefano Baroni
SISSA, A-408 (main building West), via Bonomea 265, 34136 Trieste - Italy
ph. +39 040 3787 406
fax +39 040 3787 528
personal webpage
Bio:
Stefano Baroni is full professor of Theoretical Condensed Matter Physics at Scuola Internazionale Superiore di Studi Avanzati (SISSA) Trieste (IT).
His fields of interest are: Numerical simulation and modeling in physics, chemistry, and materials science, electronic structure and chemical reactivity of metal surfaces, lattice-dynamical properties of materials, density functional theory, quantum simulations of interacting fermions and bosons (particularly He droplets), algorithms and methods for large-scale electronic-structure calculations, scientific software engineering.
Stefano Baroni is the author of more than 200 scientific papers published in international journals and refereed conference proceedings.
Team:
Stefano De Gironcoli
Alessandro Laio
Oscar Baseggio
Pietro Delugas
Davide Brunato
Pablo Ordejon

ICN2 Institut Català de Nanociència i Nanotecnologia
UAB Campus, Bellaterra (Barcelona), 08193, Spain
personal webpage
Bio:
Prof Ordejón is the Director of the ICN2 and team leader of the Theory and Simulation Group. He has published more than 190 scientific articles, which have received over 20,000 citations (h-index of 51). He is also CSIC Research Professor.
His research is focused on the development of efficient methods for electronic structure calculations in large and complex systems, with contributions to the development of techniques for large-scale atomistic simulations based on first-principles methods such as SIESTA. He has also been involved in the study of the fundamental properties of materials at the atomistic level. His current interests include electronic transport in nanoscale devices and electronic processes at surfaces and 2D materials, among many others. He maintains frequent collaborations with industrial laboratories on the simulation of material processes at the atomic level. He is a co-founder of the spinoff company SIMUNE.
Team:
Alberto Garcia
Miguel Pruneda
Emilio Artacho
Zeila Zanolli
Stefan Bluegel
Forschungszentrum Jülich, Germany
D-52425 Jülich, Germany
and University RWTH Aachen
ph. +49 2461-61-4249
fax +49 2461-61-2850
personal webpage
Bio:
Stefan Blugel is Director of Institute Quantum Theory of Materials at Forschungszentrum Jülich, Professor for Theoretical Physics at University RWTH Aachen and Head of Institutes: Peter Grünberg Institute and Institute for Advanced Simulation.
Research Interests: Theory of electronic properties of solids, spin-orbit related phenomena, magnetism, spintronic, molecular electronics, energy materials, supercomputing
Team:
Daniel Wortmann
Dirk Pleiter
Peter H. Dederichs
Gregor Michalicek
Jens Broeder
Uliana Alekseeva
Matthias Redies
Andreas Beckmann
Thierry Deutsch
INAC, Centre CEA de Grenoble,
17, rue des Martyrs,
38054 Grenoble Cedex 9, France
ph: +33 4 38 78 34 06
fax: +33 4 38 78 51 97
personal webpage
Bio:
Thierry Deutsch is CEA Research Director, director of the center of Predictive Simulation and leader of the L Sim group, has a strong experience in new algorithms based on Density Functional Theory using real-space basis sets as Daubechies wavelets which permits order N techniques and large constrained DFT calculations on massively parallel supercomputers. He has coordinated the European project BigDFT where the eponym software package is the main outcome. He is the directory of the newly created Center of Predictive Simulation which has the goal to provide tools to simulate materials from ab initio up to the device in the field of renewable energy and nano-electronics. He is author of around 60 publications in international peer-reviewed scientific journals.
Team:
Luigi Genovese
Augustin Degomme
Nicola Marzari
EPFL STI PRN-MARVEL
MED 2 1126 (Batiment MED), Station 9
CH-1015 Lausanne, Switzerland
ph. +41 21 69 31129
personal webpage
Bio:
Nicola Marzari has a "Laurea" degree in Physics from the University of Trieste (1992), and a PhD in physics from the University of Cambridge (1996). He moved to the US as an NSF postdoctoral fellow (Rutgers University, 1996-98), and then as a research scientist first at the Naval Research Laboratory (1998-99) and Princeton University (1999-01). In 2001, he was named assistant professor in computational material science at the Massachusetts Institute of Technology, where he was promoted to associate professor in 2005, and named Toyota Chair of Materials Engineering in 2009. After 10 years at MIT, Nicola Marzari joined the University of Oxford, as its first Statutory (University) Professor of Materials Modelling, and as Director of the Materials Modeling Laboratory. He joined EPFL in 2011, where he heads the laboratory for Theory and Simulation of Materials. From 2014 he also directs the MARVEL National Centre on Computational Design and Discovery of Novel Materials, a 12-year project involving ~40 groups.
Team:
Giovanni Pizzi
Sara Bonella
Michele Ceriotti
Ignacio Pagonabarraga
Spyros Zoupanos
Elsa Passaro
Stefaan Cottenier
Tech Lane Ghent Science Park, Campus A
Technologiepark 46, 9052 Zwijnaarde, Belgium
Ph: +32 (0)9 264 65 64
personal webpage
Bio:
Stefaan Cottenier is a professor at the materials science division of the Faculty of Engineering and Architecture of Gent University, and member of the Center for Molecular Modeling. His research activities are on the application of quantum physics simulation tools to predict properties of crystals that are difficult, expensive or dangerous to measure by experimental methods. Most of his projects are in close collaboration with experimental or industrial partners, in areas as condensed matter physics, planetology, semiconductor manufacturing and metallurgy. Communicating with experimental researchers inevitably brings up time and again the topic of the reliability of the computational methods used. This is how the verification and validation of DFT methods and codes became a topic in his research projects. Stefaan Cottenier collected a bottom-up consortium of 69 researchers from the DFT community, who ran together the same standardized benchmark calculations for 40 different DFT methods and codes. Up to today, this is the most stringent test for the reproducibility of DFT predictions.
Team
Carlo Cavazzoni
CINECA SuperComputing Application and Innovation Department
Via Magnanelli 6/3
40033 Casalecchio di Reno – Bologna, Italy
ph +39 051 6171 595
personal webpage
Bio:
Graduated cum laude in Physics at the University of Modena in 1994. PhD in Material Science approved cum laude at the International School for Advanced Studies (ISAS-SISSA) of Trieste in 1998. During his PhD, he has studied various problems concerning the implementation and the efficiency of parallel numerical algorithms being used in physical computer simulations. Author and co-author of several papers published in prestigious international review including Science, Physical Review Letters, Nature Materials, and many others.
Familiar with many supercomputer environments, and he has a good knowledge of many computer languages (FORTRAN77, FORTRAN90, C, C++) and of software engineering techniques. Responsible of activities regarding the evolution of supercomputer architectures, programming models and related infrastructures. In the SCAI department of CINECA presently he is responsible for the Production Services division.
Team:
Fabio Affnito
Pietro Bonfà
Mariella Ippolito
Giuseppe Fiameni
Nicola Spallanzani
Paola Alberigo


Stephan Mohr
CASE Department, BSC,
Nexus II - Planta 3 C
Jordi Girona, 29 Barcelona 08034
ph. +34 934010990
personal webpage
Bio:
Dr. Stephan Mohr obtained a BSc and MSc in Physics from University of Basel (Switzerland) in 2008 and 2010, respectively. Subsequently he enrolled as a PhD student at the same University, and terminated in 2013 with the grade 'summa cum laude'. In the following he then worked during two years as a postdoctoral researcher at CEA Grenoble, and in 2015 he got hired by the Barcelona Supercomputing Center as a Senior Researcher. During his scientific career he has authored more than ten peer-reviewed papers and presented his work on numerous international conferences. He is an expert in atomistic simulations, both with respect to algorithmic developments and applications, and has also a large experience in code development and High Performance Computing. In particular he is involved into the development of the two MaX codes Siesta and BigDFT.
Team:
Jose Maria Cela
Mauricio Hanzich
Rogeli Grima
Albert Farrés

Joost VandeVondele
ETH Zürich
Wolfgang-Pauli-Str. 27
8093 Zürich
Switzerland
Ph: +41 44 633 33 58
personal webpage
Bio:
Joost VandeVondele holds an engineering physics degree, and obtained a PhD in computational chemistry from the ETH Z¨urich in 2000. He joined CSCS as associate director in 2016, expanding and leading the scientific software and libraries unit, which includes the core team of the platform for advanced scientific computing (PASC). He is author of nearly a hundred well received papers in the field of computational electronic structure and atomistic simulation. He worked at the university of Cambridge, the university of Z¨urich, and as assistant professor for nanoscale simulation at the ETH Z¨urich. He has been Gordon-Bell finalist, and leading author of the successful simulation package CP2K.
Team:
Anton Kozhevnikov
Juerg Hutter
Fabrizio Magugliani
E4 Computer Engineering spa
Viale Martiri della Libertà 66
42019 Scandiano (RE), Italy
ph. +39 0522 991811
fax +39 0522 991803
Bio:
Fabrizio Magugliani joined E4 Computer Engineering in 2009 and since 2016 is Strategic Planning and Business Development Manager.
At E4, Fabrizio Magugliani is responsible for the creation of valuable business strategies in the newest fields of HPC and AI and for the development of strategic partnerships within the IT ecosystem. He is also the major point of reference for any European and International project related to HPC, which the company decides to join.
After his Degree in Aerospace Engineering, Fabrizio Magugliani worked for some key players in the HPC and in the Aerospace markets, covering many important executive roles, both in Italy and in the US.
Team:
Simone Tinti
Daniele Gregori
Cosimo Damiano Gianfreda
Filippo Spiga
ARM Holding Ltd, Cambridge (United Kingdom)
110 Fulbourn Road
Cambridge, UK
CB1 9NJ
Tel: +44 (1223) 400 400 [main reception]
Fax: +44 (1223) 400 410


Bio:
Filippo Spiga is Senior Research Manager at Software and Large Scale System group, Arm Research. Filippo has recently join Arm to lead and contribute in the effort of HW-SW co-design looking in particular at large scale HPC workloads and real HPC applications. Prior Arm, he worked for 5 year at Research Computing Services of University of Cambridge as head of Research Software Engineering. He has been developing and contributing in the optimization of HPC codes in various fields (mainly physics, chemistry and engineering) for more than 8 years. He has been a long-term contributor of QUANTUM ESPRESSO.
Team:
Javier Setoain
Eri Latorre-Chimoto
Ivan Girotto
ICTP - Strada Costiera, 11
I - 34151 Trieste Italy
ph. +39 040 2240 111
Bio:
Ivan Girotto is appointed at the Abdus Salam, International Centre for Theoretical Physics as High-Performance Computing (HPC) Application Specialist. With more than ten years of experience Ivan Girotto has previously served, as computational scientist, at national supercomputing centres such as CINECA, and later at the Irish Centre for High-End Computing (ICHEC). Today at ICTP, Ivan is co-director and lecturer in number of international workshops and advanced schools as well as in other programs for education and training on parallel programming for scientific computing and HPC (i.e., the joint SISSA/ICTP Master program in HPC). His main activity at the ICTP remains to conduit and support the world-wide community to efficient research production on platforms for high-performance computing.
Team:
Ralph Gebauer
Silvana Muscella
Trust-IT Srl
Via Nino Bixio, 25
56125 Pisa, Italy
Tel: +39 050 28359
Fax: +39 050 503325


Bio:
Silvana Muscella is CEO and founder of Trust-IT Services and CEO and co-founder of COMMpla. She tackles high-level strategy building, business acquisition, coordination and strategic marketing and communication developments namely in ICT in standards, energy efficiency, cybersecurity and cloud computing tools and services. High-Level Expert Group Chair of the HLEG EOSC -European Open Science Cloud [2017-2018]. External Expert Evaluator and reviewer for the European Commission since 2003 and expert for H2020 SME Instruments and FTI since 2003, Individual Member of The Green Grid, Member of ECSO, Member of the IEEE InterCloud Computing Initiative, ACM Professional Member. Served as an at-large Director for the OGF, Founder of the Cloudscape Workshop series since 2010 now self-sustainable in Brazil. Active role in EU-Brazil policy dialogue. Played an instrumental role in connecting stakeholders and SDOs. Served as coordinator of some major EU projects that have impacted efforts around ICT standards and distributed computing whilst coordinating contributions from standards groups including: OASIS, OGF, ETSI, DMTF, SNIA, IEEE, ITU and was co-author of the SIENA Roadmap. Contributed both to the EC’s Cloud Expert Group Roadmap on future research priorities and the ETSI Cloud Standards Coordination. Currently run the ICTFOOTPRINT.eu initiative showcasing ICT methodologies & help intensive ICT companies becoming smarter on making energy savings.
Team:
Luca Osimanti
Stephanie Parker
Luca Di Fiore