•    Y. Kanai, P. G. Collins, and J. C. Grossman, J.-H. Lee, J. Wu, and J. C. Grossman, “Atomistic Oxidation of a Carbon Nanotube in Nitric Acid,” Physical Review Letters (in press, 2009).

•    “Enhancing thermoelectric power factor with highly mismatched isoelectronic doping,” submitted (2009).

•    P. A. Greaney, G. Lani, G. Cicero, and J. C. Grossman, “Anomalous Dissipation in Single-Walled Carbon Nanotube Resonators,” NanoLetters Vol. 9, No. 11 3699-3703 (2009).

•    Z. Wu, M. D. Allendorf, and J. C. Grossman, ”Quantum Monte Carlo Simulation of Nanoscale MgH2 Cluster Thermodynamics,” J. Am. Chem. Soc. 131, 13918–13919 (2009).

•    Y. Kanai, Z. Wu, and J. C. Grossman, “Charge Separation in Nanoscale Photovoltaic Materials: Recent Insights from First-Principles Electronic Structure Calculations,” Journal of Materials Chemistry, Feature Article, in press (2009).

•    Y. Kanai and J. C. Grossman, “Quantum Monte Carlo Determination of the Role of Exchange in Density Functional Theory for Weak Interactions,” Phys. Rev. A (2009).

•    Z. Wu, J. B. Neaton, and J. C. Grossman, “Charge Separation in Strained Silicon Nanowires,” Nano Lett., 9 (6), pp 2418–2422 (2009). [selected as a Nature Nanotechnology “Highlight”, Nat. Nano. (2009)].

•    J. C. Grossman, “It’s Time to Blur the Lines Between Basic and Applied Research,” The Chronicle of Higher Education, Volume 55, Issue 37, May 22, 2009.

•    J.-H. Lee and J. C. Grossman, “Thermoelectric Properties of Nanoporous Germanium,” Appl. Phys. Lett. 95, 013106 (2009).

•    J. Cao, E. Ertekin, V. Srinivasan, W. Fan, S. Huang, H. Zheng, J. W. L. Yim, D. R. Khanal, D. F. Ogletree, J. C. Grossman, and J. Wu, “Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal VO2 beams,” Nature Nanotechnology 4, 732 (2009).

•    C. Joyce, K. Jennings, J. Hey, T. Kalil, and J. C. Grossman, “Getting Down to Business: Using Speedstorming to Initiate Creative Cross-Disciplinary Collaboration,” Current Directions in Psychological Science (in press, 2009).

•    J. Hey, C. Joyce, T. Kalil, and J. C. Grossman, “Putting the discipline in interdisciplinary: using speed-dating to foster creativity," Journal of NanoEducation, Volume 1, p. 75 (2009).

•    Z. Wu, Y. Kanai, and J. C. Grossman, “Quantum Monte Carlo Calculations of the Energy Level Alignment at Hybrid Interfaces: Role of Many-Body Effects,” Physical Review B 79, 201309(R) (2009).

•    G. E. Begtrup, W. Gannett, J. C. Meyer, T. D. Yuzvinsky, B. M. Kessler, E. Ertekin, J. C. Grossman, and A. Zettl, “Influence of Facets in Nanotube Synthesis,” Phys. Rev. B 79, 205409 (2009).

•    J.-H. Lee, G. Galli, and J. C. Grossman, “Enhanced Figure of Merit in Nano-Porous Materials from Theoretical Predictions,” NanoLetters 8, 3750 (2008). [selected as a Nature Materials “Highlight”, Nat. Mat. 7, 925 (2008)].

•    Y. Kanai and J. C. Grossman, “Quantum Monte Carlo Determination of the Role of Exchange in Density Functional Theory for Weak Interactions,” submitted (2008).

•    L. Wagner and J. C. Grossman, “Microscopic Description of Light Induced Defects in Amorphous Silicon Solar Cells,” Phys. Rev. Lett. 101, 265501 (2008).

•    V. Srinivasan, G. Cicero, and J. C. Grossman, “The origin of adsorption induced surface stresses in alkanethiol-Au self-assembled Monloyers,” Physical Review Letters 101, 185504 (2008).

•    Z. Wu and J. C. Grossman, “Prediction of Ultra-High Aspect Ratio Nanowires from Self-Assembly,” NanoLetters 8, 2697 (2008).

•    P. A. Greaney and J. C. Grossman, “Nanomechanical Resonance Spectroscopy: A Novel Route to Label-Free Ultra-Sensitive Detection,” NanoLetters 8, 2648 (2008).

•    Z. Wu, J. B. Neaton, and J. C. Grossman, “Quantum confinement and electronic properties of tapered silicon nanowires,” Phys. Rev. Lett. 100, 246804 (2008).

•    Y. Kanai and J. C. Grossman, “Role of Semiconducting and Metallic Tubes in P3HT/Carbon-Nanotube Photovoltaic Heterojunctions: Density Functional Theory Calculations,” NanoLetters 8, 909 (2008).

•    G. Cicero, J. C. Grossman, E. Schwegler, F. Gygi, and G. Galli, “Water confined in nanotubes and between graphene sheets: a frist principles study,” J. Am. Chem. Soc. 130, 1871 (2008).

•    J. C. Grossman, “A Little Bit About Nanotechnology,” Society of Petroleum Engineers (2007).

•    R. W. Friddle, M. C. LeMieux, G. Cicero, A. B. Artyukhin, V. V. Tsukruk, J. C. Grossman, G. Galli, and A. Noy, “Single functional group interactions with individual carbon nanotubes,” Nature Nanotechnology, Vol 2, p. 692 (2007).

•    J.-H. Lee, J. C. Grossman, J. Reed, and G. Galli, “Lattice thermal conductivity of nano-porous Si: a molecular dynamics study,” Applied Phys. Lett. 91, 223110 (2007).

•    Y. Kanai and J. C. Grossman, “Insights on interfacial charge transfer across P3HT/fullerene photovoltaic heterojunction from ab initio calculations,” NanoLetters 7, 1967 (2007).

•    P. A. Greaney and J. C. Grossman, “Nanomechanical energy transfer and resonance effects in single-walled carbon nanotubes,” Phys. Rev. Lett. 98, 125503 (2007).

•    G. Cicero, J. C. Grossman, and G. Galli, “Adhesion of single functional groups to individual carbon nanotubes: electronic effects probed by ab initio calculations,” Phys. Rev. B 74, 035425 (2006).

•    Prendergast, J. C. Grossman, and G. Galli, “The electronic structure of liquid water within density-functional theory,” J. Chem. Phys. 123, 1 (2005).

•    G. Cicero, J. C. Grossman, A. Catellani, and G. Galli, “Water and a Hydrophobic Solid Surface Probed by Ab initio Molecular Dynamics: Inhomogeneous Thin Layers of Dense Fluid,” J. Am. Chem. Soc. 127, 6830 (2005).

•    J. C. Grossman and L. Mitas, “Efficient Quantum Monte Carlo Energies for Molecular Dynamics Simulations,” Phys. Rev. Lett. 94, 056403 (2005).

•    E. Draeger, J.C. Grossman, A. Williamson, and G. Galli, “Optical Properties of Passivated Silicon Nanoclusters: The Role of Synthesis,” J. Chem. Phys. 120, 10807 (2004).

•    O. El Akramine, A. Aspuru-Guzik,  J. C. Grossman,  and W.A. Lester, Jr., “Quantum Monte Carlo Study of Electronic Excitations of Free-Base Porphyrin,” J. Chem. Phys. 120, 3049 (2004).

•    J.C. Grossman, E. Schwegler, E.W. Draeger, F. Gygi, and G. Galli, “Towards an assessment of the accuracy of density functional theory for first principles simulations of water," J. Chem. Phys. 120, 300 (2004).

•    E. Schwegler, J. C. Grossman, F. Gygi, and G. Galli, “Towards an assessment of the accuracy of density functional theory for first principles simulations of water II,” J. Chem. Phys. 121, 5400 (2004).

•    J. C. Grossman, E. Schwegler, and G. Galli, “Quantum and classical molecular dynamics simulations of hydrophobic hydration structure around small solutes,” J. Phys. Chem. B 108, 15865 (2004).

•    Prendergast, J. C. Grossman, A. J. Williamson, J.-L. Fattebert, and G. Galli, “Optical properties of silicon clusters in the presence of water: A first principles theoretical analysis,” J. Am. Chem. Soc. 126, 13827 (2004).