Advisory Board and Editors Theoretical & Computational Chemistry
Sudip Pan
Dr. Sudip Pan obtained his Ph.D. degree from the Indian Institute of Technology Kharagpur, India in 2016 under the supervision of Prof. Pratim K. Chattaraj. In the same year, he moved to work as a Postdoctoral Fellow at Cinvestav Merida under Prof. Gabriel Merino. Towards the end of 2017, he moved to Nanjing Tech University for another postdoctoral stay under Prof. Gernot Frenking and Prof. Lili Zhao. From January 2019 to December 2022 he was working at Philipps Universität Marburg, Germany as a postdoctoral fellow under Prof. Gernot Frenking. Since January, 2023 he has been working as full professor under prestigious 'Tang Aoqing Scholar' title. He is a coauthor of 170 scientific publications in very reputed journals like Science, Nature Review Chemistry, Accounts of Chemical Research, Chemical Review, Chemical Society Review, The Journal of American Chemical Society, Angewandte Chemie, Nature Communications, Chemical Science etc. and has an H-index of 39. He is acting as an associate editor of Frontiers in Chemistry and editorial board memeber in Molecules, PeerJ Physical Chemistry and PeerJ Inorganic Chemistry. He acted as a co-editor in the book entitled ‘Atomic Clusters with Unusual Structure, Bonding and Reactivity’ which is published by Elsevier. He also acted as a co-editor for the special issue in J. Comp. Chem. in honor of 75th birthday of prof. Gernot Frenking.
His research interests include molecular modeling and understanding of bonding and reactivities
Robert S Paton
After graduating top of his year in Natural Sciences at the University of Cambridge, Rob obtained his PhD in 2008 with Jonathan Goodman in Cambridge working on the automated parameterization of molecular mechanics methods to study stereoselective C-C bond formation. In 2008 he took up an independent Junior Research Fellowship at St Catharine’s College, Cambridge, and courtesy of an HPC-Europa award in 2009 spent time in the group of Feliu Maseras at ICIQ, Spain.
As recipient of the UK’s’ Fulbright-AstraZeneca Fellowship and a Science Fellowship from the Royal Commission of the Exhibition of 1851, Rob conducted postdoctoral research with K. N. Houk at the University of California, Los Angeles from 2009-2010. In 2010 Rob was appointed to a University Lectureship and Tutorial Fellowship at Oxford, progressing to Associate Professor in the Department of Chemistry in 2014. In 2018 he moved to Colorado State University as an Associate Professor. Rob has received the MGMS Silver Jubilee Prize, the RSC Harrison-Meldola Memorial Prize and an ACS OpenEye Outstanding Junior Faculty Award.
Carlo Petrongolo
RECENT RESEARCH ACTIVITY
Quantum theories and calculations of molecular excitations and dynamics
Nonadiabatic effects in triatomics
About 110 papers in international referred journals and books
POSITIONS & DEGREES
1987-present Professor of Physical Chemistry, Universita' di Sassari, Universita' di Siena, IPCF-CNR, Pisa, Italy
1980-86 Associated professor of Physical Chemistry, Universita' di Pisa
1980 von Humboldt Fellow, University of Bonn, Germany
VISITING POSITIONS
2016 Istituto di Struttura della Materia, CNR, Roma, Italy.
2012, 2005 University of Barcelona, Spain.
2008 University of Besançon, France.
2000 Argonne National Laboratory, Argonne, IL, USA
1999 Northwestern University, Evanston, IL, USA.
1979-95 Universities of Bonn and Wuppertal, Germany
1975 J. Hopkins University, Baltimore, MA, USA
DIRECTOR of SCIENTIFIC PROJECTS
2008-11 ESA-ESTEC, Noordwijk, The Netherlands
2005-06 Integrated actions Italy-Spain
1987-2011 Ministero dell'Istruzione, dell'Universita', e della Ricerca, Sassari and Siena
1984-99 CNR, Pisa, Sassari, and Siena
1982-1983 NATO, Bonn
SCIENTIFIC SOCIETIES
Societa' Chimica Italiana, European Photochemical Association, Royal Chemical Society, American Chemical Society.
SCOPUS AUTHOR
6602079531
WoS RESEARCHER
J-8745-2016
ORCID
0000-0002-9655-7641
RESEARCH GATE
Carlo Petrongolo
GOOGLE SCHOLAR
https://scholar.google.it/scholar?hl=it&as_sdt=0%2C5&q=carlo+petrongolo&oq=pe
Michael T Ruggiero
Michael Ruggiero is an Assistant Professor of Chemistry at the University of Vermont in the United States. He received undergraduate degrees in chemistry and mathematics from the State University of New York (SUNY) College at Geneseo, and his Master’s and Ph.D. from Syracuse University, both in New York State. His doctoral work, performed under the guidance of Professor Timothy Korter, focused on combining experimental terahertz time-domain spectroscopy with ab initio density functional theory simulations, where he pursued the electronic origins of intermolecular forces in molecular crystals. Following a successful defense, he took up an EPSRC-sponsored postdoctoral fellowship at the University of Cambridge in the United Kingdom, working with Professor Axel Zeitler in the Terahertz Applications Group. At Cambridge, his focus shifted to disordered molecular solids, with the goal of understanding the molecular dynamics responsible for solid-state crystallization of amorphous drugs. After almost three years in Cambridge, Ruggiero went back to America to take up a position of Assistant Professor at the University of Vermont, where he is currently combining theoretical simulations with experimental spectroscopy. His work is highly interdisciplinary, sitting at the intersection of chemistry, physics, pharmacy, materials science, and computer science, and as such he is a heavy collaborator with groups from around the world.
Freddie R Salsbury Jr
Professor, Department of Physics, Wake Forest University. cross-appointment with Cancer Biology. Director, Interdisciplinary Certificate Program in Structural and Computational Biophysics. Co-director, Crystallography and Computational Biosciences Shard Resource, WFCCC
Hans Martin Senn
Hans Martin Senn obtained his undergraduate and PhD degrees in Chemistry from ETH Zürich. For his undergraduate thesis project in 1996/97, he went to Imperial College, London, where he was supervised by Mike Mingos, who got him into (EHT and DFT) calculations. Back in Switzerland, he did his PhD with Antonio Togni at ETH and Peter Blöchl at the IBM Zürich Research Centre. After a first postdoc with Tom Ziegler in Calgary, he worked in Walter Thiel's group at the Max Planck Institute for Coal Research in Mülheim an der Ruhr (Germany). Since 2007, he has been a lecturer in Theoretical and Computational Chemistry at the University of Glasgow (UK).
Yilun Shang
I am an Associate Professor in Computer and Information Sciences at Northumbria. I received my PhD degree in Mathematics from Shanghai Jiao Tong University. My research interest is in complex networks and systems.
Yashonath Subramanian
Obtained Ph.D. from Indian Institute of Science, Bangalore and then spent time at Department of Chemistry, University of Cambridge, Cambridge and Royal Institution of Great Britain, London and University of Pennsylvania, Philadelphia.
Interests include molecular simulation, computational methods, physical chemistry, intermolecular interaction, phase transitions and diffusion. Visiting Professor at several institutions in Europe and Japan such as University of Sassari in Sardinia, Italy as well as IMR, Sendai University.
Łukasz Szeleszczuk
Dr. Łukasz Szeleszczuk is a Professor at the Medical University of Warsaw. His main areas of interest are DFT calculations, especially for the solid state systems, and solid state NMR spectroscopy.
Matthieu J Verstraete
Professor of Physics, head of the nanomat group, quantum materials center (Q-MAT) of the CESAM research unit.
Chair of Steering Committee, European Theoretical Spectroscopy Facility. Elected Fellow APS, Young Academy of Europe.
Katsunori Wakabayashi
K. Wakabayashi gained his Ph.D in 2000 from the University of Tsukuba in Japan. From 2000 to 2009 he was an Assistant Professor at the Department of Quantum Matter in Hiroshima University, Japan. From 2009 to 2015, he was an Independent Scientist at the World Premier Research Center Initiative for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS) in Tsukuba, Japan. From 2015, he is a full professor at the Department of Nanotechnology for Sustainable Energy, School of Science and Technology, Kwansei Gakuin University, Japan. Besides the above primary research position, he was a visiting scholar at the Institute for Theoretical Physics, ETH-Zurich, Switzerland, from 2003 to 2005, and also had a concurrent position as PRESTO researcher in Japan Science and Technology Agency (JST). His main research interests are theoretical nanoscience and condensed matter theory, especially focusing on electronic transport and magnetism in nanoscale scale systems. Also, he is known for his contributions to the theoretical works for nano-graphene and graphene nanoribbons. His total citation accumulates about 11000.
Jamie D Walls
Jamie D. Walls obtained his PhD in chemistry in 2003 from UC Berkeley under the supervision of Alex Pines. He subsequently performed postdoctoral research at UCLA (with Prof. Yung-Ya Lin) and at Harvard University (with Prof. Eric J. Heller) before joining the faculty at the University of Miami in 2008, where he is currently an Associate Professor in the Department of Chemistry.
The research in the Walls group mainly focuses on nuclear magnetic resonance (NMR) methodological development and applications and studying spin physics. In particular, there is a focus on research into improving resolution in NMR and expanding the ways we can control spin dynamics.