Skip to Main Content U.S. Department of Energy
Computational Sciences & Mathematics

Staff information

Kim Ferris

Kim Ferris

Computational Engineering
Pacific Northwest National Laboratory
PO Box 999
MSIN: K7-90
Richland, WA 99352


Dr. Ferris is a Chief Scientist in the Fundamental and Computational Sciences Directorate involved in fundamental and applied research programs focused on computational materials modeling: multiscale methods linking atomistic simulation with mechanical properties, materials informatics, dynamics of interfacial reactions at ceramic and polymer surfaces, and optical response. Recent work has involved the development of new approaches for materials discovery, computational formalisms for structure/property relationships linking atomistic simulations and electronic and mechanical properties, and electronic structure of photonic materials. Applications Driven Chemistry (ADC) is a new information-based formalism for new materials identification based upon the combination of this latest work. Dr. Ferris is a principal investigator in the DOE/ASCR program "Northwest Consortium for Multiscale Mathematics and Applications -"Educational Strategies and Critical Problems in the Thermo-mechanics of Materials", developing new methods to handle large assemblages of particles. His past work has been active in programs dealing predicting intrinsic linear and non-linear dielectric response of polymers and metal oxide films, and intermolecular reactions of SAM's and their dynamics. Dr. Ferris is the author/co-author of over 100 publications.

PNNL Publications


  • Tartakovsky AM, KF Ferris, and P Meakin. 2009. "Lagrangian particle model for multiphase flows." Computer Physics Communications 180(10):1874-1881.  doi:10.1016/j.cpc.2009.06.002


  • Shaw WJ, and KF Ferris. 2008. "Structure, Orientation and Dynamics of the C-Terminal Hexapeptide of LRAP Determined Using Solid State NMR." Journal of Physical Chemistry B 112(51):16975-16981. 
  • Shaw WJ, KF Ferris, BJ Tarasevich, and JL Larson. 2008. "The structure and orientation of the C-terminus of LRAP." Biophysical Journal 94(8):3247-3257.  doi:10.1529/biophysj.107.119636
  • Webb-Robertson BJM, KF Ferris, and DM Jones. 2008. "Design Rules for Ce-activated scintillating radiation detection materials: Compromises between Luminosity and stopping power." IEEE Transactions on Nuclear Science 55(3 pt 2):1210-1215. 
  • Ferris KF, BJM Webb-Robertson, DV Jordan, and DM Jones. 2008. "Data-driven exploration of the ionization-phonon partitioning in scintillating radiation detector materials." In IEEE Transactions on Nuclear Science, vol. 55, no. 3 Pt.2, pp. 1042-1048.  Institute of Electrical Electronics Engineers, Piscataway, NJ. 


  • Exarhos GJ, CF Windisch, Jr, KF Ferris, and RR Owings. 2007. "Cation Defects and Conductivity in Transparent Oxides." Applied Physics A, Materials Science and Processing 89(1):9-18.  doi:10.1007/s00339-007-4040-7
  • Ferris KF, LM Peurrung, and JM Marder. 2007. "Materials Informatics: Fast Track to New Materials ." Advanced Materials & Processes 165(1):50-51. 
  • Ferris KF, BJM Webb-Robertson, and DM Jones. 2007. "Materials Discovery: Informatic Strategies for Optical Materials." In Proceedings of the SPIE: Laser-Induced Damage in Optical Material, vol. 6403, ed. Gregory J. Exarhos, et al, p. Art No. 64032A.  SPIE , Bellingham, WA.  doi:10.1117/12.719514


  • Ferris KF, BJM Webb-Robertson, and DM Jones. 2006. "Information-Based Development of New Radiation Detectors." In Materials Research Society Symposium Proceedings: Combinatorial Methods and Informatics in Materials Science, vol. 894, no. Paper No. 0894-LL09-02, ed. MJ Fasolka, et al.  Materials Research Society, Warrendale, PA. 


  • Wang LQ, KF Ferris, S Azad, and MH Engelhard. 2005. "Adsorption and Reaction of Methanol on Stoichiometric and Defective SrTiO3(100) Surfaces ." Journal of Physical Chemistry B 109(10):4507-4513.  doi:10.1021/jp048338t


  • Exarhos GJ, and KF Ferris. 2004. "Optical Limiting by Index-Matched Phase-Segregated Mixtures." In Quantum sensing and nanophotonic devices : Proceedings of SPIE--the International Society for Optical Engineering, 29-25 January, 2004, San Jose, California, USA /, vol. 5359, ed. Manijeh Razeghi, Gail J. Brown, pp. 309-323.  SPIE , Bellingham, WA. 
  • Exarhos GJ, KF Ferris, and WD Samuels. 2004. "Heterogeneous Mixtures as NLO Christiansen Filters for Optical Limiting ." In SPIE Proceedings, vol. 5273, ed. Exarhos, Gregory J.; et. al., pp. 402-412.  SPIE-The International Society for Optical Engineering, Bellingham, WA. 
  • Sapochak LS, A Falkowitz, KF Ferris, S Steinberg, and PE Burrows. 2004. "Supramolecular Structures of Zinc (II) (8-quinolinolato) Chelates." Journal of Physical Chemistry B 108(25):8558-8566. 
  • Sapochak LS, A Ranasinghe, H Kohlmann, KF Ferris, and PE Burrows. 2004. "Structure and Three-Dimensional Crystal Packing Preferences for mer-Tris (8-quinolinolato) Indium (III) Vapor-Phase-Grown Crystals." Chemistry of Materials 16(3):401-406. 
  • Wang LQ, KF Ferris, S Azad, MH Engelhard, and CHF Peden. 2004. "Adsorption and Reaction of Acetaldehyde on Stoichiometric and Defective SrTiO3 (100) Surfaces." Journal of Physical Chemistry B 108(5):1646 - 1652. 
  • Wang LQ, KF Ferris, S Azad, MH Engelhard, and CHF Peden. 2004. "Adsorption and Reaction of Acetaldehyde on Stoichiometric and Defective SrTiO3(100) Surfaces." Journal of Physical Chemistry B 108(5):1646-1652. 


  • Exarhos GJ, KF Ferris, WD Samuels, and RR Owings. 2003. "Optical Limiting Based on Liquid-Liquid Immiscibility." In Laser-Induced Damage in Optical Materials: 2002 and 7th International Workshop on Laser Beam and Optics Characterization, vol. 4932, pp. 319 - 333.  SPIE - The International Society for Optical Engineering, Bellingham, WA. 


  • Risser SM, and KF Ferris. 2002. "Molecular and Electronic Structure of n-Alkyl Cyanobiphbenyl Nematogens." Molecular Crystals and Liquid Crystals 373:143-153. 
  • Sapochak LS, F Benincasa, RS Schofield, J Baker, K Riccio, D Fogarty, H Kohlmann, KF Ferris, and PE Burrows. 2002. "Electroluminescent Zinc(II) Bis(8-hydroxyquinoline): Structural Effects on Electronic States and Device Performance." Journal of the American Chemical Society 124(21):6119-6125. 
  • Wang LQ, KF Ferris, and GS Herman. 2002. "Interactions of H2O with SrTiO3(100)Surfaces." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 20(1):239-244. 
  • Windisch CF, Jr, KF Ferris, GJ Exarhos, and SK Sharma. 2002. "Conducting Spinel Oxide Films with Infrared Transparency." Thin Solid Films 420:89-99. 


  • Exarhos GJ, KF Ferris, CF Windisch, Jr, BJ Bozlee, SM Risser, and SL Van Swam. 2001. "An Index-Mismatch Scattering Approach to Optical Limiting." In Laser-Induced Damage in Optical Materials: 16-18 Oct. 2000, Boulder, CO. Proceedings of the SPIE - The International Society for Optical Engineering., vol. 4347, pp. 432-443.  SPIE-Int. Society Optical Engineering, Bellingham, WA. 
  • Wang LQ, KF Ferris, GS Herman, and MH Engelhard. 2001. "Interaction of HCOOH with stoichiometric and reduced SrTiO3(100) surfaces." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 18(4):1893-1899. 
  • Windisch CF, Jr, GJ Exarhos, KF Ferris, MH Engelhard, and DC Stewart. 2001. "Infrared Transparent Spinel Films with p -Type Conductivity." Thin Solid Films 398-399:45-52. 
  • Windisch CF, Jr, KF Ferris, and GJ Exarhos. 2001. "Synthesis and Characterization of Transparent Conducting Oxide Cobalt-Nickel Spinel Films." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 19(4 PT 2):1647-1651. 


  • Wang LQ, KF Ferris, and GS Herman. 2000. "Interaction of HCOOH with SrTiO3 (100) Surfaces." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 18 (4 PT 2)(JUL-AUG 2000):1893-1899. 


  • Fryxell GE, J Liu, TA Hauser, Z Nie, KF Ferris, SV Mattigod, M Gong, and RT Hallen. 1999. "Design and Synthesis of Selective Mesoporous Anion Types ." Chemistry of Materials 11(8):2148-2154. 
  • Wang LQ, KF Ferris, PX Skiba, AN Shultz, DR Baer, and MH Engelhard. 1999. "Interactions of Liquid and Vapor Water with Stoichiometric and Defective TiO2(100) Surfaces." Surface Science 440(1-2):60-68. 

Advanced Computing, Mathematics, and Data


Seminar Series

Fundamental & Computational Sciences

ACMDD Research

Research highlights

View All ACMDD Highlights