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Karoly Nemeth

assistant physicist
Advanced Photon Source

Argonne National Laboratory
9700 S. Cass Ave
Building -

(630) 252- • email


My main research since 2009 has become the Reverse Monte Carlo (RMC) modelling of x-ray scattering of disordered materials combining experimental information from various lengthscales, such as PDF, EXAFS and SAXS, into a single atomistic model. I have developed an RMC code from scratch that can simultaenously fit  PDF & EXAFS data also using particle size distribution from SAXS analysis. The current focus of my RMC modelling is on understanding Li-ion battery structure-function relationship.

I am also the originator and main author of a battery/supercapacitor patent application based on “conceptual reduction to practice”, utilizing CO2 electrochemistry.  Very recently, Toyota researchers proved substantial capacity-increase of Li-air batteries upon addition of large quantities of CO2 (Chem. Commun., 2011, 47, 3463–3465). I am the author of 28 regular papers 20 conference proceedings and a dozen major conference/seminar talks.

Selected Publications

 K. Németh, G. Srajer, M.van Veenendaal: Electrochemical Energy Storage Device Based on Carbon Dioxide as Electroactive Species,
US Patent Application 20100330435A1, filed on Sept. 10. 2010.

K. Németh, K.C. Harkay, M.van Veenendaal, L. Spentzouris,
M. White, K. Attenkofer and G. Srajer: High-Brightness
Photocathodes through Ultrathin Surface Layers on Metals, Phys. Rev. Lett. 104, 046801 (2010).

K.Németh, B. Shen, Y. Li, H. Shang, R. Crowell, K.C. Harkay,
J.R.Cary: Laser-Driven Coherent Betatron Oscillation in a Laser-Wakefield Cavity, Phys. Rev. Lett. 100, 095002 (2008).

K. Németh, M. Challacombe, M.van Veenendaal: The Choice
of Internal Coordinates in Complex Chemical Systems,
J. Comp. Chem., 2078, 31 (2010).

Research Interests

Multiscale Reverse Monte Carlo algorithm and code development and applications for the analysis of the structure of disordered materials,
structural investigations of  batteries and hydrogen storage materials, theoretical design of novel materials for energy storage and solar energy
production, "linear scaling" algorithm and code development for the efficient optimization of very large molecular and crystal structures and for long-timescale molecular dynamics, high-brightness photocathode development, surface physics and chemistry especially of photocathode materials, photonics/nanophotonics,
particle-in-cell simulations of laser-plasma interactions, linear scaling algorithm development in quantum-chemistry, vibrational spectroscopy, general modeling of large atomic systems for materials science and molecular biology.


Ph.D. (1996):
Theoretical and Computational
Chemistry, Eötvös University, Hungary.

M.S. (1992):
Chemistry, Eötvös University, Hungary.


Argonne National Lab.
(2005 Apr – present):

Assistant Physicist: X-ray Science
Division (2010 May – present).
Researcher: Department of Physics,
Northern Illinois University (position
funded jointly with Argonne, 2009 Apr – 2010 Apr).
Physicist (hourly paid): Accelerator
Systems Division (2007 Oct – 2009 Apr).
Visiting Scientist: Accelerator Systems Division (2006 Jun – 2007 Oct).,
Chemistry Division (2005 Apr – 2006 Jun).

Postdoctoral Research Assistantships:

Los Alamos National Lab. (2002 Febr – 2005 Apr), University of Arkansas (2001 Febr – 2002 Febr), University of Nancy, France (2000 Febr -2001 Febr), Rice University, Texas (1998 Oct – 2000 Jan), Max Planck Institute for Radiation Chemistry, Germany (1996 Sept – 1998 Oct).

Additional Information


In RMC modelling: V. Krayzman (NIST), K. Chapman (APS/ANL), M. Balasubramanian (APS/ANL), L. Pusztai (HAS-RISPO/Hungary), M. Tucker (ISIS), I. Levin(NIST), T. Proffen (LANL), G. Srajer, M. van Veenendaal, B. Shyam, S. Heald, P. Chupas, R. Winans, R. Klingler, G. Sandy, J. Almer (APS/ANL) .

In photocathode research: K. Harkay (APS/ANL),  J. Terry  & L. Spentzouris (IIT), J.Zs. Terdik (student, UofChicago), K. Attenkofer (APS/ANL).

In laser-plasma accelerators: Y. Li (APS/ANL), J.R. Cary (VORPAL Corp & UofColorado), B. Shen (SIOFM, China).

In quantum-chemistry: M. Challacombe (LANL), A. Niklasson (LANL), V. Weber (IBM), J. Jellinek (CIS/ANL), P. Pulay (UofArkansas), J. Angyan (NancyUniversity/France), J. Kurti & P. Surjan (ELTE/Hungary).

In battery research: N. Markovic (MSD/ANL), L. Trahey & M. Thackeray (CIS/ANL)