NINT Principal Investigator, Theory and Modeling

Adjunct Professor, Department of Mechanical Engineering, University of Alberta

Dr. Kovalenko is a leading, internationally recognized expert in theoretical and computational methods of modeling on multiple space and time scales, including statistical physics and electronic structure theory. His focus is development and application of theoretical methods capable of predicting the behaviour of nanosystems. He has proposed a new statistical-mechanical, molecular theory of solvation which bridges the gap between electronic structure, atomistic simulations, and the level of system functioning. He has applied it to provide realistic descriptions of physical and chemical properties and processes in various nanosystems: complex molecular liquids and solutions; electronic and solvation structure and thermodynamics in solution, including ionic liquids, and at solid-liquid and liquid-liquid interfaces; chemical reactions and nanocatalysis in solution; electrochemistry of solutions sorbed in nanoporous materials; polymers in solutions and melts; microscopic structure of liquid flow in nanofluidics; transport of nanoparticles across biomembranes and liquid interfaces; self-assembly, conformational stability and aggregation of supramolecules and biomolecules in solution.

Dr. Kovalenko's current work focuses on methodological development and application of theory, modeling and simulation on multiple space and time scales for rational design of processes and devices for nanochemistry, nanoelectronics, nanomaterials, energy and health applications.

Employment

• NINT Principal Investigator, NINT, National Research Council, Edmonton, Alberta. 2003-Present.
• Adjunct Professor, Department of Mechanical Engineering, University of Alberta, Edmonton, Alberta. 2004-Present.
• "Joshu" (tenure-track), Institute for Molecular Science, Okazaki National Research Institutes, Japan, 2000 – 2003
• Adjunct Professor, Graduate University for Advanced Studies, Okazaki, Japan, 2002–2003
• Fellow of the Japanese government program "Research for the Future," Institute for Molecular Science, Okazaki National Research Institutes, Japan, 1998 – 1999
• Visiting Associate Professor, Institute for Molecular Science, Okazaki National Research Institutes, Japan, 1997 – 1998
• Senior Scientific Researcher, Institute for Condensed Matter Physics, Lviv, National Academy of Sciences of Ukraine, 1997 – 2003
• Scientific Researcher, Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, 1995 – 1997
• Postdoctoral Researcher, Institute of Chemistry, National Autonomous University of Mexico, 1995 – 1996
• Junior Scientific Researcher, Institute for Condensed Matter Physics, National Academy of Sciences of Ukraine, 1993 – 1995
• Research Assistant; Senior Research Assistant; PhD Graduate Student, Bogolyubov's Institute for Theoretical Physics, National Academy of Sciences of Ukraine, 1985 – 1993

Education

• PhD, Theoretical and Mathematical Physics, Lviv State University, Ukraine, 1993
• MSc (with Honors), Physics (Semiconductor Physics), Lviv State University, Ukraine, 1985

Highlights

• Established and developed the statistical-mechanical, three-dimensional molecular theory of solvation
• Introduced the nonequilibrium stqatistical-mechanical, three-dimensional molecular theory of boundary conditions of liquid flow for nanofluidics
• Proposed the molecular theory of liquid interfaces
• computational chemical methodology for solvated macro- and supramolecules and chemical reactions in solution, where the effect of solvent of a given composition is predicted by the 3D molecular theory of solvation
• Developed multiscale modeling of self-assembly and conformational stability of synthetic organic supramolecular and biomolecular nanoarchitectures in solution
• Proposed an exact solution to the quantum problem of a hydrogen-like atom in a semi-infinite space (in semiconductor physics)
• Member of the Advisory Committee for the Centre of Excellence in Integrated Nanotools, UofA
• NRC-NINT Project Leader: “Theory, modeling, and simulation on multiple scales for rational design of processes and devices for nanochemistry, nanoelectronics, nanomaterials, energy, and health applications”, 2006 – 2012
• NSERC Individual Discovery Grants: "Statistical-mechanical theory and modeling for assisted self-assembling integration of MEMS and NEMS", 2005 – 2008; “Molecular modeling and rational design of supramolecule-assisted heterogeneous integration for MEMS and NEMS”, 2009 – 2014
• Grant from the Japanese Ministry of Education and Science for "Scientific research in priority areas on nanochemistry at liquid-liquid interfaces", 2001 – 2004
• Winner of the Soviet Union physics olympiads: high-school (1979, 1980), and university (1982 – 1984)

Contact Information

11421 Saskatchewan Drive
NINT Building, Room 2-044
Edmonton, AB T6G 2M9

Phone: 780-641-1716
Fax: 780-641-1601
E-mail: Andriy.Kovalenko@nrc-cnrc.gc.ca

Andriy Kovalenko Publications.pdf