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Scientific Research Categories
Computational Chemistry
Density Functional Theory, Semi-Empirical Hamiltonians, Tight-binding, Force fields
Materials Science
Intercalated, Exfoliated, Delaminated Clays Nanoclays, Kaolinite, Halloysite;
Amorphous Carbon Materials; and
Fe-S minerals and nanoparticles
Spectroscopy
Chemical Structure
X-ray Absorption Spectroscopy:
XAS, XANES, EXAFS, XAFS
combined with electronic structure calculations
Chemical Structure
Organometallic Chemistry
Chemical Structure
Electronic and Geometric Structures, Spin Coupling, Covalency, Chemical Bonding
Bioinorganic Chemistry
Organometallic Chemistry
Organometallic Chemistry
Metalloenzymology, Biomimetic Compounds, Structure/Function
Organometallic Chemistry
Organometallic Chemistry
Organometallic Chemistry
Fe-C Bonds, Pd Catalysis, Olefin Metathesis, Carbon Dioxide Fixation
Invited Talks
2026
- keynote presentation "Reactivity-Assisted Ensemble for Molecular Dynamics of Polymer Carbonization with Machine-Learning Interatomic Potentials" at the World Conference on Carbon 2026, Charleston, SC, July 12–17
- lecture "Chemical Structure and Reactivity Insights from X-ray Rainbow" at the Canadian Light Source Annual Users’ Meeting, Saskatoon, SK, May 21
- department seminar "Atomic-Scale Thermodynamics of Fe(II)(aq) and HS–(aq) toward Nanoparticles and Molecular Clusters" at Institute of Science Tokyo, Ikegami-Ookayama, Japan, Apr 27
- lecture "Chromium Chemistry for Energy Storage in N–H Bonds" at Sakura Science workshop, Yokohama City University, Japan, Apr 25
- lecture "Gas Adsorption on (Carbon) Materials from Quantum Chemical Perspective" at the Int. Symp. Materials and Devices 2025 (ISMD 2025), Yumoto, Japan, Feb 23-25
- keynote presentation "Bridging Three Continents with Scientific Discovery: Challenges, Rewards, and Impact" at SPRING graduation event, Yokohama City University, Japan, Feb 20
2025
- department seminar "Sulfur, as the Reactive Site of Iron-Sulfur Minerals, Nanoparticles, and Clusters" at Ibaraki University, Mito, Japan, Oct 20
2024
- seminar "Soft and Hard Materials: A scientific paradigm shift or a fashion statement?" at Institute of Fundamental Technological Research Polish Acad. of Science, Warsaw, Sep 12
- seminar "Phylloaluminosilicates and Iron-Sulphur Minerals linked by Maquette Chemistry!" at the Institute of Inorganic Chemistry, Slovak Academy of Sciences, Bratislava, Sep 6
- lecture "Mutli-Scale Computational Modelling of Carbon Materials" at the 4th International AtomDEC Symposium, Tohoku University, Sendai, Aug 1-3
- department seminar "Computational Simulations and Synchrotron Spectroscopy for the Emergence of Biosphere" at Earth-Life-Science-Institute, Tokyo Institute of Technology, Tokyo, Aug 8
- lecture " Synchrotron Radiation and Maquette Chemistry Hand-in-Hand to Explain the Emergence of Biosphere" at the 25th Anniversary Meeting of the Morokuma Laboratory, Yokohama City University, Jul 24-25
- department seminar "Synchrotron Spectroscopy Supported Multi-Scale Computational Modelling" at University of Alberta, Edmonton, Jul 18-19
- lecture "Computational Assessment of Hydrolysis and Condensation Reactions as Key Chemical Transformations for the Emergence of Biosphere" at Sakura Science 2024, Yokohama City University, Japan, Jan 19 and at Quantum Physical Chemistry Symposium, Yokohama City University, Jan 20
- lecture " Continuous or Discrete? Continuous or Discrete? These are the Questions! " at the Carbon Science and Technology Meeting, Tohoku University, Sendai, Japan; Jan 23
- department seminar " The Grand Challenge: Emergence of the Biosphere on Water Worlds" at Ibaraki University, Mito, Japan, Jan 25
2023
- lecture "Mapping the Molecule-to-Material Continuum" at Nanolytica2023 at Simon Fraser University, Burnaby, BC CANADA, May 4
2022
- lecture "Structure and Function of [4Fe-4S]-Peptide Maquettes from Computational Modelling and Experiments" at Canadian Symposium on Theoretical and Computational Chemistry (CSTCC2022), Kelowna, BC CANADA, June 27-July 1
- lecture "Modelling Gas Adsorption on Porous Carbon Materials" at 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2020), Vancouver, BC CANADA; July 3-8
2021
- lectures at Pacifichem 2020 (postponed due to COVID pandemic to 2021) in sessions "Theory and Computation for Complex Molecular Systems" and "Chemistry of Prebiotic Chemical Systems Applied towards Origins of Life"
- Enhancing X-ray spectroscopy with ab initio and classical computational tools to understand environmental processes; SLAC/SSRL Users's Meeting workshop; September 24
- departmental seminar at University of British Columbia – Okanagan, Department of Chemistry, online via Zoom; July 8
2020
- lecture and teaching demonstration at the Earth-Life Science Institute, Tokyo Institute of Technology, Tokyo, Japan; February 19-20
- lecture at the Institute of Multidisciplinary Research for Advanced Materials, Tohoku University and research meeting at Kiyotani-ken hosted by Hirotomo Nishihara Sensei, Sendai, Japan; January 31
2019
- department seminar at University of Wyoming, Laramie, WY; September 3
- public lecture in Bozeman (Nordic Brew Works) at the inaugural “Keginar” event – Chemobrionics, Chemical Gardens, Emergence of Life ; April 23
- lecture at Chemobrionics 30/80 Meeting, Granada, Spain; March 11-13
2018
- lecture at the Flathead Community College, Kalispell, MT; February 2-3
2017
- lecture at inaugural meeting of the Northwestern Theoretical and Computational Chemistry Consortium, PNNL, Richland, WA; October 26-27
public lecture at University of Pannonia, Veszprém, Hungary; October 2 - lecture at the 254th ACS National Meeting, Washington, DC; August 20-24
- lecture and hands-on training at SSRL, Menlo Park, CA; June 19-23
- department seminar at University of Montana, Department of Chemistry and Biochemistry, Missoula, MT; April 10
2016
- departmental seminar at Yokohama City University, Quantum Physical Chemistry Laboratory; July 20
- lecture at the 8th Middle European Clay Conference, Kosice, Slovakia; July 4-8
departmental seminar at University of Iowa, Department of Chemistry, Iowa City, IA; January 29
lecture at The Montana Tech Public Lecture Series, Butte, MT; January 21
2015
- departmental seminar, Ibaraki University, Department of Chemistry, Mito; November 30-December 5
seminar at Duquesne University, Pittsburgh, PA; October 16 - plenary lecture at Stanford Synchrotron Radiation Lightsource, Users’ Meeting; Oct. 9
- public lecture at Ibaraki University, Hitachi Campus, Hitachi City; June 11
- seminar at Nagoya University, World Premier Institute, Nagoya; June 8
- seminar at Department of Chemistry, Whitman College, Walla Walla, WA; May 8
- keynote speaker at American Chemical Society, Montana Section, University of Montana – Helena College of Technology, Helena, MT; April 18
- seminar at Catalysis Research Centre, Hokkaido University, Sapporo; March 2
- seminar and workshop at Ibaraki University, Chemistry, Mito; February 2-5
2014
- seminar at the ZNGLAB, Eötvös Loránd University, Budapest, Hungary; December 15
- seminar at the Institute of Chemistry, Eötvös Loránd University, Hungary; December 11
- seminar at the Institute of Chemistry, University of Debrecen, Hungary; December 5
- lecture at the Coordination Chemical Workgroup, Hungarian Academy of Sciences Budapest, Hungary; November 11
- lecture at the Central European Symposium on Theoretical Chemistry, Nagybörzsöny, Hungary; September 21-25
- lecture and poster at the 1st Water Chemistry and Technology Conference and Annual Meeting of the Spectrochemical Workgroup of Hungarian Academy of Sciences, Veszprém, Hungary; July 8
- seminar at the Department of Inorganic and Analytical Chemistry, University of Szeged, Szeged, Hungary; May 8
- Szent-Györgyi Albert Research Professor lecture at the Faculty of Engineering University of Pannonia, Veszprém; May 7
- seminar at the Budapest University of Technology and Economics, Chemical Engineering Graduate Studies, Budapest, Hungary; April 9
- seminar at Institute of Chemistry, University of Pecs, Hungary; April 4
- public presentation on the “Science in the Pub” event organized by University of Pannonia, Veszprém, Hungary; April 1
- lecture at the National Excellence Program meeting, Veszprém, Hungary; March 5
- lecture for students at the Ányos Jedlik Dormitory, University of Pannonia, Veszprém, Hungary; February 26
- seminar in the Sawamura Laboratory, Department of Chemistry, Hokkaido University, Sapporo; February 17
- seminar and workshop at Ibaraki University, Chemistry, Mito; February 12-14
2013
- seminar at the Kyoto Institute for Chemical Research, Uji Campus, Kyoto; December 2
- lecture at the 6thAsian-Pacific Conference of Theoretical and Computational Chemistry, Gyeongju, Korea; July 10-13
- seminar at the Fukui Institute, Kyoto; July 5
- seminar at Nagoya University, Department of Chemistry, Nagoya; June 20
- seminar at Spring-8 Synchrotron Laboratory, Sayo-Gun, Hyogo; June 18
- seminar at Yokohama City University, Department of Nanobioscience; Yokohama, May 10
- seminar at Photon Factory, High Energy Laboratory, Tsukuba; April 8
- seminar at Japan Atomic Energy Agency, Tokai; March 15 and July 9
- seminar at Hokkaido University, Department of Chemistry, Sapporo; March 5 & July 16
- lecture at the meeting of the Biophysical Society of Hokkaido, Sapporo; March 4
2012
- seminars at York University, York, ON, Canada and University Ottawa’s Centre for Catalysis Research and Innovation, Ottawa, ON, Canada; September 24-28
- lecture Structural Molecular Biology, Low-Z XAS Summer School 2012, Stanford Synchrotron Radiation Lightsource, Menlo Park, CA; July 16-18
- seminars at the University of Pannonia, Veszprém, Hungary, Budapest University of Technology and Economics, Budapest, Hungary and the Hungarian Academy of Sciences; June 14-18
- presentation on Bioinorganic Chemistry, 95th Canadian Chemistry Conference and Exhibition, Calgary, AB; May 26-30
2011
- presentation at the 3th Georgian Bay International Conference in Bioinorganic Chemistry, Parry Sound, ON, Canada; May 31-June 4
- presentation at the Catalysis Workshop at the Users’ Meeting of the Synchrotron Radiation Lightsource, SLAC, Menlo Park, CA; October 24-26
2010
- Structural Molecular Biology Low-Z XAS Summer School 2010. Stanford Synchrotron Radiation Lightsource, SLAC, Menlo Park, California; July 20-23
- 3rd International Thermochromic Meeting, West Olive, MI; July 5-6
- Thermal Biology Institute, Research Associates Meeting, Bozeman, MT; June 9-10
2009
- 2nd International Thermochromic Meeting, West Olive, MI; July 20-21
- Department of Chemistry, The Centre for Theoretical and Computational Chemistry, University of Tromsø, Norway; April 22
2008
- Department Seminar at the Chemistry Department, Indiana University, Bloomington, IN; September 25-27
- 236th ACS National Meeting & Exposition, Philadelphia, PA; August 17-21
- 4th International Symposium on Bioorganometallic Chemistry, Missoula, MT; July 6-10
- seminar at the Department of Computer Science, MSU; April 21
- seminar at the Bioinformatics User Group, MSU, Bozeman, MT; April 16
- 5th Japan-China Crossover Science Symposium, Mito, Ibaraki, Japan; February 28-29
- 48th Sanibel Symposium, St. Simons Island, GA; February 21-26
- Protein Cofactors, Radicals and Quinones: GRC, Ventura, CA; January 20-2
2007
- SSRL/LCLS Users’ Meeting, Menlo Park, CA; September 28 - October 3
- TheoBio-07 Theoretical Biophysics Symposium, Cetraro, Italy; June 16-20
- 233rd ACS National Meeting, Chicago, IL; March 25-29
2006
- 33rd SSRL Users' Meeting, Menlo Park, CA; October 12-13
- Iron-Sulfur Enzymes: Gordon Research Conference, Colby-Sawyer College, New London, NH; June 11-16
2005
- EXAFS and XANES workshop, 2005 Users’ Meeting ALS Berkeley, CA; October 21-23
- Department Seminar at the Department of Chemistry, The University of Queensland, Brisbane, Australia; June 6
2004
- seminar at the Department of Organic Chemistry, University of Veszprém, Veszprém, Hungary; June 4
Undergraduate, Graduate, and Postdoctoral Training
Postdoctoral Research at Stanford University
Ph.D. Dissertation Research at University of Veszprém
Postdoctoral Research at Stanford University
Publications under the supervision of
Prof. Edward I. Solomon,
Prof. Britt Hedman, and
Prof. Keith O. Hogdson
(2000-2003).
Postdoctoral Research at Emory University
Ph.D. Dissertation Research at University of Veszprém
Postdoctoral Research at Stanford University
Publications under the supervision of
Prof. Keiji Morokuma† and
Dr. Jamaladdin Musaev
(1998-2000)
Ph.D. Dissertation Research at University of Veszprém
Ph.D. Dissertation Research at University of Veszprém
Ph.D. Dissertation Research at University of Veszprém
Publications under the supervision of
Prof. Lajos Bencze†
(B.Eng. 1990-1993,
M.Sc. 1993-1995,
Ph.D. 1995-1998).
Visiting graduate student in the group of
Prof. Gernot Frenking
(1996, Philipps-Universität Marburg) and
Prof. Nino Russo
(1995, Universita della Calabria, Arcavacata di Rende, Cosenza)