Efficient quantum monte carlo energies for molecular dynamics simulationsGROSSMAN, Jeffrey C; MITAS, Lubos.Physical review letters. 2005, Vol 94, Num 5, pp 056403.1-056403.4, issn 0031-9007Article

Accelerating the Design of Solar Thermal Fuel Materials through High Throughput SimulationsYUN LIU; GROSSMAN, Jeffrey C.Nano letters (Print). 2014, Vol 14, Num 12, pp 7046-7050, issn 1530-6984, 5 p.Article

Optimal Sunlight Harvesting in Photovoltaics and PhotosynthesisBERNARDI, Marco; GROSSMAN, Jeffrey C.Journal of physical chemistry. C. 2013, Vol 117, Num 51, pp 26896-26904, issn 1932-7447, 9 p.Article

Prediction of Ultra-High Aspect Ratio Nanowires from Self-AssemblyZHIGANG WU; GROSSMAN, Jeffrey C.Nano letters (Print). 2008, Vol 8, Num 9, pp 2697-2705, issn 1530-6984, 9 p.Article

Role of Semiconducting and Metallic Tubes in P3HT/Carbon-Nanotube Photovoltaic Heterojunctions : Density Functional Theory CalculationsKANAI, Yosuke; GROSSMAN, Jeffrey C.Nano letters (Print). 2008, Vol 8, Num 3, pp 908-912, issn 1530-6984, 5 p.Article

Insights on interfacial charge transfer across P3HT/fullerene photovoltaic heterojunction from Ab initio calculationsKANAI, Yosuke; GROSSMAN, Jeffrey C.Nano letters (Print). 2007, Vol 7, Num 7, pp 1967-1972, issn 1530-6984, 6 p.Article

Water Desalination across Nanoporous GrapheneCOHEN-TANUGI, David; GROSSMAN, Jeffrey C.Nano letters (Print). 2012, Vol 12, Num 7, pp 3602-3608, issn 1530-6984, 7 p.Article

Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer MaterialsBERNARDI, Marco; PALUMMO, Maurizia; GROSSMAN, Jeffrey C et al.Nano letters (Print). 2013, Vol 13, Num 8, pp 3664-3670, issn 1530-6984, 7 p.Article

Azobenzene-Functionalized Carbon Nanotubes As High-Energy Density Solar Thermal FuelsKOLPAK, Alexie M; GROSSMAN, Jeffrey C.Nano letters (Print). 2011, Vol 11, Num 8, pp 3156-3162, issn 1530-6984, 7 p.Article

Charge Separation via Strain in Silicon NanowiresZHIGANG WU; NEATON, J. B; GROSSMAN, Jeffrey C et al.Nano letters (Print). 2009, Vol 9, Num 6, pp 2418-2422, issn 1530-6984, 5 p.Article

Mechanical Strength of Nanoporous Graphene as a Desalination MembraneCOHEN-TANUGI, David; GROSSMAN, Jeffrey C.Nano letters (Print). 2014, Vol 14, Num 11, pp 6171-6178, issn 1530-6984, 8 p.Article

Nanomechanical Resonance Spectroscopy : A Novel Route to Ultrasensitive Label-Free DetectionGREANEY, P. Alex; GROSSMAN, Jeffrey C.Nano letters (Print). 2008, Vol 8, Num 9, pp 2648-2652, issn 1530-6984, 5 p.Article

Water at a hydrophilic solid surface probed by ab initio molecular dynamics : Inhomogeneous thin layers of dense fluidCICERO, Giancarlo; GROSSMAN, Jeffrey C; CATELLANI, Alessandra et al.Journal of the American Chemical Society. 2005, Vol 127, Num 18, pp 6830-6835, issn 0002-7863, 6 p.Article

Mpemba-Like Behavior in Carbon Nanotube Resonators : Modeling, Simulation, and Theory of Nanomechanical Materials BehaviorALEX GREANEY, P; LANI, Giovanna; CICERO, Giancarlo et al.Metallurgical and materials transactions. A, Physical metallurgy and materials science. 2011, Vol 42, Num 13, pp 3907-3912, issn 1073-5623, 6 p.Article

Anomalous Dissipation in Single-Walled Carbon Nanotube ResonatorsGREANEY, P. Alex; LANI, Giovanna; CICERO, Giancarlo et al.Nano letters (Print). 2009, Vol 9, Num 11, pp 3699-3703, issn 1530-6984, 5 p.Article

Computational studies of the optical emission of silicon nanocrystalsPUZDER, Aaron; WILLIAMSON, Andrew J; GROSSMAN, Jeffrey C et al.Journal of the American Chemical Society. 2003, Vol 125, Num 9, pp 2786-2791, issn 0002-7863, 6 p.Article

Nanoporous Si as an Efficient Thermoelectric MaterialLEE, Joo-Hyoung; GALLIC, Giulia A; GROSSMAN, Jeffrey C et al.Nano letters (Print). 2008, Vol 8, Num 11, pp 3750-3754, issn 1530-6984, 5 p.Article

High Surface Reactivity and Water Adsorption on NiFe₂O₄ (111) SurfacesKUMAR, Priyank V; SHORT, Michael P; YIP, Sidney et al.Journal of physical chemistry. C. 2013, Vol 117, Num 11, pp 5678-5683, issn 1932-7447, 6 p.Article

Broad-Range Modulation of Light Emission in Two-Dimensional Semiconductors by Molecular Physisorption GatingTONGAY, Sefaattin; JIAN ZHOU; ATACA, Can et al.Nano letters (Print). 2013, Vol 13, Num 6, pp 2831-2836, issn 1530-6984, 6 p.Article

Optical properties of silicon clusters in the presence of water: A first principles theoretical analysisPRENDERGAST, David; GROSSMAN, Jeffrey C; WILLIAMSON, Andrew J et al.Journal of the American Chemical Society. 2004, Vol 126, Num 42, pp 13827-13837, issn 0002-7863, 11 p.Article

Toward Efficient Carbon Nanotube/P3HT Solar Cells: Active Layer Morphology, Electrical, and Optical PropertiesSHENQIANG REN; BEMARDI, Marco; LUNT, Richard R et al.Nano letters (Print). 2011, Vol 11, Num 12, pp 5316-5321, issn 1530-6984, 6 p.Article

Tuning metal hydride thermodynamics via size and composition: Li―H, Mg―H, Al―H, and Mg―Al―H nanoclusters for hydrogen storageWAGNER, Lucas K; MAJZOUB, Eric H; ALLENDORF, Mark D et al.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 18, pp 6611-6616, issn 1463-9076, 6 p.Article

Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic SimulationsMANZANO, Hegoi; DURGUN, Engin; MOHAMMED JAVAD ABDOLHOSSEINE QOMI et al.Crystal growth & design. 2011, Vol 11, Num 7, pp 2964-2972, issn 1528-7483, 9 p.Article

Set in stone? A perspective on the concrete sustainability challengeVAN VLIET, Krystyn; PELLENQ, Roland; BUEHLER, Markus J et al.MRS bulletin. 2012, Vol 37, Num 4, pp 395-402, issn 0883-7694, 8 p.Article

Aromaticity and hydrogenation patterns in highly strained fullerenesGROSSMAN, Jeffrey C; COLVIN, Michael E; TRAN, Ngoc L et al.Chemical physics letters. 2002, Vol 356, Num 3-4, pp 247-253, issn 0009-2614Article