Advisory Board and Editors Thermodynamics & Statistical Mechanics

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Walter F. de Azevedo Jr.

Prof. Azevedo is frontiers section editor (Bioinformatics and Biophysics) for the Current Drug Targets, section editor (Bioinformatics in Drug Design and Discovery) for the Current Medicinal Chemistry, member of the editorial board of Current Bioinformatics, academic editor for PeerJ, and editor of Docking Screens for Drug Discovery (Methods of Molecular Biology)(Springer Nature). He holds a Ph.D. in Applied Physics from the University of São Paulo (USP)(1997). During his Ph.D., he worked under the supervision of Prof. Sung-Hou Kim (University of California, Berkeley), on a split Ph.D. program with a fellowship from the Brazilian Research Council (1993-1996). His Ph.D. was about the structure of CDK2 (de Azevedo Jr. et al., 1996)( He is the coordinator of the Structural Biochemistry Laboratory at Pontifical Catholic University of Rio Grande do Sul. His research interests are interdisciplinary with two major emphases: molecular simulations and protein-ligand interactions. He published over 180 scientific papers about protein structures and computer models to assess intermolecular interactions involving proteins and potential ligands. These publications have over 4900 citations in the Web of Science (Publons h-index: 37)(, +5500 citations (Scopus h-index: 41)(, and +7100 citations(Google Scholar h-index: 44).

Claudio Della Volpe

C. Della Volpe, physical chemist; born Naples 1950; University of Naples, researcher in Physical chemistry of aqueous solutions; university of Trento, associated professor in applied Physical Chemistry; Editorial Board of Surface Innovations and Journal of Wettability Science and Technology ; Editor of the blog The Chemistry and the Society; Scientific Board of ASPO-Italy

Marco Evangelisti

I am a senior staff scientist at the Institute of Materials Science of Aragón, within the Spanish National Research Council (CSIC), and I am affiliated to the Department of Condensed Matter Physics at the University of Zaragoza.

I hold a Laurea (Bachelor’s degree) from the University of Camerino (1996) and a joint PhD degree awarded by the Universities of Leiden and Zaragoza (2001). I worked as a postdoctoral researcher at the University of Leiden (2001–2004) and the CNR Institute of Nanoscience in Modena (2004–2009), before joining the Institute of Materials Science of Aragón as a "Ramón y Cajal" CSIC Fellow. I tenured as a CSIC scientist in 2010, becoming senior scientist in 2017.

I am an experimental physicist with a keen interest in magnetocaloric and electrocaloric materials and in the development of advanced instrumentation.

Christof M Jäger

Following my undergraduate studies of Molecular Science I received my PhD in Computational Chemistry from the University of Erlangen-Nuernberg, Germany in 2010. I then worked as a Postdoc for the Cluster of Excellence Engineering Advanced Materials (EAM) until 2014, when I joined the Sustainable Process Technology (SPT)Research Group in in the Faculty of Engineering of the University of Nottingham.

My research activities all share the motivation to bring the power of computational chemistry to new chemical problems, to fundamentally understand properties and functions of organic (macro)molecules, to reveal hidden chemical questions and to promote solutions for chemical challenges.

My research experience includes Molecular Dynamics simulations, semi-empirical Molecular Orbital Theory, DFT and ab initio methods and force field development. Past projects involved multi-disciplinary research in the areas of bio-organic, colloid, and radical chemistry, molecular self-assembly, ion effects, and molecular electronics in organic electronic devices.

In Nottingham my research focuses on the development and application of efficient computational approaches for their use in enzyme driven biotechnology in order to discover sustainable routes for manufacturing fine chemicals and novel antibiotic drugs.

Mingda Li

Mingda completed his B.S. in Engineering Physics from Tsinghua University in 2009, and his Ph.D. in Nuclear Science and Engineering from MIT in 2015. Before joining the department as a faculty, he carried out research as a postdoc associate at Mechanical Engineering Department of MIT. His research is to study the quantum and functional properties of materials using spectroscopic methods and many-body theory, particularly interplay with materials defects.

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.

Yilun Shang

I am currently an Associate Professor in Computer and Information Sciences at Northumbria. Prior to this I have been an Associate Professor at Tongji University leading the Complex Network group in School of Mathematical Sciences for four years. Before this I held various postdoctoral appointments with Institute for Cyber Security and Department of Computer Science at University of Texas at San Antonio, SUTD-MIT International Design Centre at Singapore University of Technology and Design, and Einstein Institute of Mathematics at Hebrew University of Jerusalem. In 2017, I visited Department of Mathematical Sciences at University of Essex as a short stay Essex International Visiting Fellow. I received my PhD degree in Applied Mathematics in 2010 and BSc degree in Mathematics in 2005, both from Shanghai Jiao Tong University.

Fu-Ming Tao

Boston College, Chestnut Hill, MA, Ph.D., Chemistry, 1991
Suzhou University, Suzhou, PRC, M.S., Chemistry, 1985
University of Science and Technology of China, Hefei, PRC B.S., Chemistry, 1982

Professor, California State University, Fullerton, CA, 2005-present
Associate Professor, California State University, Fullerton, CA, 2000-2005
Assistant Professor, California State University, Fullerton, CA, 1995-2000
Research Associate, Harvard University, Cambridge, MA, 1992-1995
Research Associate, Brown University, Providence, RI, 1991-1992
Teaching Assistant, Boston College, Chestnut Hill, MA, 1986-1991
Lecturer, Suzhou University, Suzhou, China, 1985-1986

Dmitri Vezenov

Associate Professor of Chemistry, Lehigh University. Science Advisor, Nanoptek. Research involves i) application of scanning force microscopy to direct measurements and imaging of intermolecular forces between organic functional groups, bio-molecules, and nano-materials (such as carbon nanotubes); ii) development of new techniques for direct manipulation of single molecules (force spectroscopy, such as magnetic or dielectrophoretic tweezers) to understand and exploit intermolecular interactions in soft matter; iii) probing nano-mechanics of thin films; iv) next-generation DNA sequencing technology.

Haibo Yu

Dr Haibo Yu completed his undergraduate study at the University of Science and Technology of China and his Ph.D. at the ETH Zürich, Switzerland. He then conducted postdoctoral training at the University of Wisconsin-Madison and the University of Chicago in the United States. He joined the School of Chemistry and Molecular Bioscience at the University of Wollongong in July 2010. Currently, he is also a Senior Research Fellow at IHMRI.

Research in his group is focused on developing and applying theoretical and computational tools to understand the structure-dynamics-function relationship in complex (bio)molecular and nanoscale systems.