Wang, J.W., Zhang, F.X., Lian, J., Ewing, R.C., and Becker U. (sub)  Energetics and concentration of defect in Gd₂Ti₂O₇ and Gd₂Zr₂O₇ pyrochlore at high pressure (Acta Materialia). (submitted)

Wang, J.W., Lu, H.L., Ripmeester J.A., and Becker, U. (sub) Structure and Vibrational Spectroscopy of Hydrogen Clusters in Hydrogen Clathrate Hydrate by Molecular Dynamics Simulation and First-Principle calculation (JPCC) (submitted)

Skomurski, F.N., Ewing, R.C., and Becker, U. (sub) Formation of hyperstoichiometric UO_2+x: Implications for charge distribution in U₄O₉. (Journal of Nuclear Materials). (submitted)

Hu, Q., Zhang, Y., Zhang, F.X., Becker, U., (sub) The influences of ammonia and growth substrates on CaCO₃ polymorph formation and transformation (American Mineralogist). (submitted)

Renock D. and Becker U. (in rev.) Coupled substitution processes in galena (Economic Geology). (in revision)

Shuller, L.C., Ewing, R.C., and Becker, U. (in press.)  A quantum-mechanical approach for the evaluation of Np-incorporation into boltwoodite (Journal of Nuclear Materials). (in press)

Shuller, L.C., Ewing, R.C., and Becker, U. (in press.)  Thermodynamic properties of Th_xU_1-xO₂ (0 < x < 1) based on quantum-mechanical calculations and Monte-Carlo simulations (American Mineralogist). (in press)

Sethmann, I., Wang, J. W., Becker, U., and Putnis, A., 2010. Strain-Induced Segmentation of Magnesian Calcite Thin Films Growing on a Calcite Substrate. Crystal Growth & Design 10, 4319-4326.

Wang, J. W., Lu, H. L., Ripmeester, J. A., and Becker, U., 2010. Molecular-Dynamics and First-Principles Calculations of Raman Spectra and Molecular and Electronic Structure of Hydrogen Clusters in Hydrogen Clathrate Hydrate. Journal of Physical Chemistry C 114, 21042-21050.

Shuller, L.C., Ewing, R.C., Becker, U. (2010) Quantum-mechanical evaluation of Np incorporation into studtite. American Mineralogist, 95, 1151-1160.

Renock D., and Becker U. (2010) A first principles study of the oxidation energetics and kinetics of realgar, Geochimica et Cosmochimica Acta, 74, 4266-4284.

Ferriss, E. D. A., Ewing, R. C., Becker U. (2010) Simulation of thermodynamic mixing properties of actinide-containing zircon solid solutions, American Mineralogist, 95, 229-241.

Lang, M., Zhang, F.X., Zhang, J.M., Wang, J.W., Schuster, B., Trautmann, C., Neumann, R., Becker, U., and Ewing, R.C. (2009) Nanoscale manipulation of the properties of solids at high pressure with relativistic heavy ions. Nature Materials, 8(10), 793-797.

Lim, D.H., Lastoskie, C.M., Soon, A., and Becker, U. (2009) Density Functional Theory Studies of Chloroethene Adsorption on Zerovalent Iron. Environmental Science & Technology, 43(4), 1192-1198.

Pointeau, V., Deditius, A.P., Miserque, F., Renock, D., Becker, U., Zhang, J., Clavier, N., Dacheux, N., Poinssot, C., and Ewing, R.C. (2009) Synthesis and characterization of coffinite. Journal of Nuclear Materials, 393(3), 449-458.

Renock, D., Gallegos, T., Utsunomiya, S., Hayes, K., Ewing, R.C., and Becker, U. (2009) Chemical and structural characterization of As immobilization by nanoparticles of mackinawite (FeSm). Chemical Geology, 268(1-2), 116-125.

Segvich, S., Biswas, S., Becker, U., and Kohn, D.H. (2009) Identification of Peptides with Targeted Adhesion to Bone-Like Mineral via Phage Display and Computational Modeling. Cells Tissues Organs, 189(1-4), 245-251.

Shuller, L.C., Pavenayotin, N., Ewing, R.C., and Becker, U. (2009) Thermodynamic Properties of Actinide-Oxide Solid-Solutions. In C.C. Fu, A. Kimura, M. Samaras, M.S. DeCaro, and R.E. Stoller, Eds. Materials for Future Fusion and Fission Technologies, 1125, p. 95-100.

Zhang, F.X., Pointeau, V., Shuller, L.C., Reaman, D.M., Lang, M., Liu, Z.X., Hu, J.Z., Panero, W.R., Becker, U.,Poinssot, C., and Ewing, R.C. (2009) Structural transitions and electron transfer in coffinite, USiO₄, at high pressure. American Mineralogist, 94(7), 916-920.

Zhen, C.G., Becker, U., and Kieffer, J. (2009) Tuning Electronic Properties of Functionalized Polyhedral Oligomeric Silsesquioxanes: A DFT and TDDFT Study. Journal of Physical Chemistry A, 113(35), 9707-9714. (2)

Wang J. and Becker U. (2009) Structure and carbonate orientation of vaterite (CaCO₃), American Mineralogist 94, 380-386.

Deditius, A. P., Utsunomiya, S., Renock, D., Ewing, R. C., Ramana, C. V., Becker, U., and Kesler, S. E., 2008. A proposed new type of arsenian pyrite: Composition, nanostructure and geological significance. Geochimica et Cosmochimica Acta 72, 2919-2933.

Ferriss, E.D.A., Essene, E., Becker, U. (2008), Computational study of the effect of pressure on the Ti-in-zircon geothermometer, European Journal of Mineralogy, 20 (5), 745-755.

Ramana, C. V., Becker, U., Shutthanandan, V., and Julien, C. M., 2008a. Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics. Geochemical Transactions 9, Article 8 (8 pages).

Zhang, F. X., Lang, M., Becker, U., Ewing, R. C., and Lian, J. (2008) High pressure phase transitions and compressibilities of Er₂Zr₂O₇ and Ho₂Zr₂O₇. Applied Physics Letters 92.

Ramana, C. V., Utsunomiya, S., Ewing, R. C., Becker, U., Atuchin, V. V., Aliev, V. S., and Kruchinin, V. N. (2008) Spectroscopic ellipsometry characterization of the optical properties and thermal stability of ZrO₂ films made by ion-beam assisted deposition. Applied Physics Letters 92.

Deditius, A. P., Utsunomiya, S., Renock, D., Ewing, R. C., Ramana, C. V., Becker, U., and Kesler, S. E. (2008) A proposed new type of arsenian pyrite: Composition, nanostructure and geological significance. Geochimica et Cosmochimica Acta 72, 2919-2933.

Ramana, C. V., Atuchin, V. V., Becker, U., Ewing, R. C., Isaenko, L. I., Khyzhun, O. Y., Merkulov, A. A., Pokrovsky, L. D., Sinelnichenko, A. K., and Zhurkov, S. A. (2007a) Low-energy Ar⁺ ion-beam-induced amorphization and chemical modification of potassium titanyl arsenate (001) crystal surfaces. Journal of Physical Chemistry C 111, 2702-2708.

Ramana, C. V., Atuchin, V. V., Pokrovsky, L. D., Becker, U., and Julien, C. M. (2007) Structure and chemical properties of molybdenum oxide thin films. Journal of Vacuum Science & Technology A 25, 1166-1171.

Reich, M., Ewing, R. C., Ehlers, T. A., and Becker, U. (2007) Low-temperature anisotropic diffusion of helium in zircon: Implications for zircon (U-Th)/He thermochronometry. Geochimica et Cosmochimica Acta 71, 3119-3130.

Zhang, F. X., Lian, J., Becker, U., Ewing, R. C., Wang, L. M., Hu, J. Z., and Saxena, S. K. (2007b) Structural change of layered perovskite La₂Ti₂O₇ at high pressures. Journal of Solid State Chemistry 180, 571-576.

Ramana, C. V., Shutthanandan, S., and Becker, U. (2006b) Thermal oxidation of molybdenite surfaces. Abstracts of Papers of the American Chemical Society 231.

Becker U. , Prieto M. (2006, editorial) Solid solutions: from theory to experiment. Chemical Geology, 225, 173– 175.

Becker U., Risthaus P., Brandt F., Bosbach  D. (2006) Thermodynamic properties and crystal growth behavior of the hashemite (BaSO₄-BaCrO₄) solid solution. Chemical Geology, 225, 244-255.

Biswas, S. and Becker, U. (2005) Interaction of mineral surfaces with oligopeptides as organic templates: An insight into biomineralization. Geochimica et Cosmochimica Acta 69, A119-A119.

Ramana C.V., Utsunomiya S., Ewing R.C., Julien C.M., & Becker U. (2005) Electron microscopy investigation of structural transformations in tungsten oxide (WO₃) thin films, Rapid Research Letter, Physica Status Solidi (A): Applied Physics and Materials Applications, 202, R 108 – R 110.

Skomurski, F. N., Shuller, L. C., Becker, U., and Ewing, R. C. (2005) The corrosion of UO₂ versus ThO₂: A quantum mechanical investigation. Geochimica et Cosmochimica Acta 69, A411-A411.

Kendall T.A., Hochella M.F., and Becker U. (2005) Computational modeling of azotobactin-goethite/diaspore interactions: applications to molecular force measurements and siderophore-mineral reactivity. Chemical Geology 216 (1-2): 17-35.

Gasharova, B., Gottlicher, J., and Becker, U. (2005) Dissolution at the surface of jarosite: an in situ AFM study. Chemical Geology 215, 499-516.

Pina, C.M., Putnis, C.V., Becker, U., Biswas,S., Carroll ,E.C., Bosbach ,D., Putnis, A, (2004) An atomic force microscopy and molecular simulations study of the inhibition of barite growth by phosphonates” Surface Science , 553, 61-74.

Vinograd, V. L., Sluiter, M. H. F., Winkler, B., Putnis, A., Halenius, U., Gale, J. D., and Becker, U. (2004) Thermodynamics of mixing and ordering in pyrope-grossular solid solution. Mineralogical Magazine 68, 101-121.

Becker U. & Rosso K.M. (2003) Advances in oxide and sulfide mineral surface chemistry. Geochimica et Cosmochimica Acta, 67, 797.

Rosso K.M. & Becker U. (2003) Proximity effects on semiconducting mineral surfaces II: Distance dependence of indirect interactions. Geochimica et Cosmochimica Acta, 67, 941-953.

Gasharova B., Göttlicher J. & Becker U. (2003) Dissolution of jarosite: An in situ AFM study (submitted to Chemical Geology, Special Issue on Sulfate Minerals).

Becker U., Rosso K.M., Weaver R., Warren M. & Hochella M.F.Jr. (2001) Metal island growth and dynamics on molybdenite surfaces. Geochimica et Cosmochimica Acta, 67, 923-934.

Becker U., Risthaus P., Bosbach D. & Putnis A. (2001) Selective attachment of monovalent background electrolyte ions and growth inhibitors to polar steps on sulfates as studied by molecular simulations and AFM observations.  In: de Leeuw N. (ed.) "Calcite and Related Materials: Crystal Growth and Dissolution", MSI special issue, 28 (6-7): 607-632.

Harrison R. & Becker U. (2001) Magnetic ordering in solid solutions, in: Solid Solutions in Silicate and Oxide Systems of Geological Importance, Notes in Mineralogy, Vol. 3, European Mineralogical Union, Vol 3 Chapter 13 349-383.

Becker U. & Gasharova B. (2001) AFM observations and simulations of jarosite growth at the molecular scale: probing the basis for the incorporation of foreign ions into jarosite as a storage mineral. Physics and Chemistry of Minerals, 28, 545-556.

Becker U. & Rosso K. (2001) Step edges on galena (100): Probing the basis for defect driven surface reactivity at the atomic scale. American Mineralogist, 86, 862-870.

Risthaus P., Bosbach D., Becker U. & Putnis A. (2001) Barite scale formation and dissolution at high ionic strength studied with atomic force microscopy. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 191, 201-214.

Becker U., Rosso K. & Hochella M.F. Jr. (2001) The proximity effect on semiconducting mineral surfaces: A new aspect of mineral surface reactivity and surface complexation theory? Geochimica et Cosmochimica Acta, 65, 2641-2649.

Becker U. & Pollok K. (2001) Molecular simulations of interfacial and thermodynamic mixing properties of the grossular-andradite garnets (Physics and Chemistry of Minerals, in press).

Risthaus P., Bosbach D., Becker U. and Putnis A. (2000) The effect of background electrolytes on growth and dissolution of barite, celestite and calcite: an in situ AFM study. Berichte der Deutschen Mineralogischen Gesellschaft. European Journal Mineralogy 12, 167.

Rosso K.M., Becker U. & Hochella M.F., Jr. (2000) Surface defects and self-diffusion on pyrite {100} using ultra-high vacuum scanning tunneling microscopy and theoretical modeling. American Mineralogist, 85, 1428-1436.

Vinograd V.L., Becker U. & Putnis A. (2000) Maximization of cluster entropies via an irreversible algorithm: Application to the cluster variation method. Properties of Complex Inorganic Solids, Volume II. Meike, A. Gonis, A. Turchi, P. E. A. and Rajan, K. eds., pp. 249-260, Kluwer Academic/Plenum Publishers, Dordrecht, The Netherlands.

Harrison R., Becker U. & Redfern S. (2000) Thermodynamics of the R  to R c phase transition in the ilmenite-hematite solid solution, American Mineralogist, Am. Mineral., 85/11-12, 1694-1705.

Prieto M., Fernández-González A., Becker U.& Putnis A. (2000) Computing Lippmann diagrams from direct calculation of mixing properties of solid solutions: application to the barite-celestite system. Aquatic Geochemistry, 6/2, 133-146.

Becker U., Fernández-González A., Prieto M., Harrison R., & Putnis A. (2000) Direct calculation of thermodynamic properties of the barite/celestite system from molecular principles, Physics and Chemistry of Minerals, 27/4, 291-300.

Rosso, K.M., Becker, U. & Hochella, M.F. Jr. (1999) The oxidation of pyrite {100} surfaces with O₂ and H₂O: fundamental oxidation mechanisms, American Mineralogist, 84, 1549-1561.

Rosso K.M., Becker U. & Hochella, M.F. Jr. (1999) Atomically resolved electronic structure of pyrite {100} surfaces: an experimental and theoretical investigation with implications for reactivity, American Mineralogist, 84, 1535-1548.

Putnis A., Becker U. & Bosbach D. (1999), Mineral surface science: principles, applications and case studies. In: NATO Science Series, Mathematical and Physical Sciences Vol. 543, „Microscopic properties and processes in minerals“ Dordrecht, Netherlands, 1998, 595-628.

Rakovan J., Becker U. & Hochella M.F. Jr. (1998), Aspects of goethite surface microtopography, structure, chemistry and reactivity, American Mineralogist, 1999, Vol.84, No.5-6, 884-894.

Pina C., Becker U., Risthaus P., Bosbach D. & Putnis A. (1998), Molecular-scale mechanisms of crystal growth in barite, Nature, 395/6701, 483-486.

Vaughan D.J., Becker U. & Wright K. (1997), Sulphide mineral surfaces: theory and experiment, International Journal of Mineral Processing, 51, 1-14.

Becker U., Munz A.W., Lennie A.R., Thornton G. & Vaughan D.J. (1997), The atomic and electronic structure of the (001) surface of monoclinic pyrrhotite (Fe₇S₈) as studied by using STM, LEED, and quantum mechanical calculations, Surface Science, 389/1-3, 66-87.

Becker U., Vaughan D.J. & Hochella M.F., Jr. (1997), The adsorption of gold to galena surfaces: Calculation of adsorption/reduction energies, reaction mechanisms, XPS spectra, and STM images, Geochimica et Cosmochimica Acta 61/17, 3565-3585.

Becker U. & Peiffer S. (1997), Heavy metal ion complexation by particulate matter in the leachate of solid waste: A multi-method approach. Journal of Contaminant Hydrology, 24/3-4, 313-344.

Becker U., Hochella M.F. Jr. & Aprá E. (1996), The electronic structure of hematite {001} surfaces: Applications to the interpretation of STM images and heterogeneous surface reactions, American Mineralogist, 81, 1301-1313.

Klos H., Becker U., Dyakonov V., Gotschy B., Denninger G., Rösler G. & Hirsch A. (1993), EPR and Overhauser shift on Pf₄⁺C₆₀^- and K_xC₆₀. in Electronic Properties of Fullerenes. Proceedings of the International Winterschool on Electronic Properties of Novel Materials. Kuzmany H., Fink J., Mehring M., Roth S. (editors) Berlin, Germany: Springer-Verlag, p. 344-7.