Jeffrey C. Grossman, Ph.D. - Publications

Massachusetts Institute of Technology, Cambridge, MA, United States 

212 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Lu Z, Zhang L, Iwata R, Wang EN, Grossman JC. Transport-Based Modeling of Bubble Nucleation on Gas Evolving Electrodes. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 33259214 DOI: 10.1021/acs.langmuir.0c02690  0.84
2020 Crabb E, France-Lanord A, Leverick G, Stephens R, Shao-Horn Y, Grossman JC. Importance of Equilibration Method and Sampling for Molecular Dynamics Simulations of Solvent-Lithium-Salt Systems in Lithium-Oxygen Batteries. Journal of Chemical Theory and Computation. PMID 33180490 DOI: 10.1021/acs.jctc.0c00833  1
2020 Hu Y, Guo Z, Ragonese A, Zhu T, Khuje S, Li C, Grossman JC, Zhou C, Nouh M, Ren S. A 3D-printed molecular ferroelectric metamaterial. Proceedings of the National Academy of Sciences of the United States of America. PMID 33077582 DOI: 10.1073/pnas.2013934117  0.72
2020 Huang Y, Wolowiec C, Zhu T, Hu Y, An L, Li Z, Grossman JC, Schuller IK, Ren S. Emerging Magnetic Interactions in van der Waals Heterostructures. Nano Letters. PMID 33054240 DOI: 10.1021/acs.nanolett.0c02175  0.72
2020 Getachew BA, Bergsman DS, Grossman JC. Laser-Induced Graphene from Polyimide and Polyethersulfone Precursors as a Sensing Electrode in Anodic Stripping Voltammetry. Acs Applied Materials & Interfaces. 12: 48511-48517. PMID 33052656 DOI: 10.1021/acsami.0c11725  0.52
2020 Zang X, Tai KY, Jian C, Shou W, Matusik W, Ferralis N, Grossman JC. Laser-Induced Tar-Mediated Sintering of Metals and Refractory Carbides in Air. Acs Nano. PMID 32806046 DOI: 10.1021/acsnano.0c04295  0.72
2020 Dahod NS, France-Lanord A, Paritmongkol W, Grossman JC, Tisdale WA. Low-frequency Raman spectrum of 2D layered perovskites: Local atomistic motion or superlattice modes? The Journal of Chemical Physics. 153: 044710. PMID 32752687 DOI: 10.1063/5.0012763  1
2020 Qiao B, Mohapatra S, Lopez J, Leverick GM, Tatara R, Shibuya Y, Jiang Y, France-Lanord A, Grossman JC, Gómez-Bombarelli R, Johnson JA, Shao-Horn Y. Quantitative Mapping of Molecular Substituents to Macroscopic Properties Enables Predictive Design of Oligoethylene Glycol-Based Lithium Electrolytes. Acs Central Science. 6: 1115-1128. PMID 32724846 DOI: 10.1021/acscentsci.0c00475  1
2020 Bergsman DS, Getachew BA, Cooper CB, Grossman JC. Preserving nanoscale features in polymers during laser induced graphene formation using sequential infiltration synthesis. Nature Communications. 11: 3636. PMID 32686666 DOI: 10.1038/s41467-020-17259-5  0.52
2020 Nam TW, Kim M, Wang Y, Kim GY, Choi W, Lim H, Song KM, Choi MJ, Jeon DY, Grossman JC, Jung YS. Thermodynamic-driven polychromatic quantum dot patterning for light-emitting diodes beyond eye-limiting resolution. Nature Communications. 11: 3040. PMID 32546822 DOI: 10.1038/s41467-020-16865-7  0.88
2020 Sinha S, Zhu T, France-Lanord A, Sheng Y, Grossman JC, Porfyrakis K, Warner JH. Atomic structure and defect dynamics of monolayer lead iodide nanodisks with epitaxial alignment on graphene. Nature Communications. 11: 823. PMID 32041958 DOI: 10.1038/s41467-020-14481-z  1
2019 Hansen EC, Liu Y, Utzat H, Bertram SN, Grossman JC, Bawendi M. Blue Light Emitting Defective Nanocrystals Composed of Earth-Abundant Elements. Angewandte Chemie (International Ed. in English). PMID 31693785 DOI: 10.1002/anie.201911436  1
2019 Kim Y, Wang Y, France-Lanord A, Wang Y, Wu YM, Lin S, Li Y, Grossman JC, Swager TM. Ionic Highways from Covalent Assembly in Highly Conducting and Stable Anion Exchange Membrane Fuel Cells. Journal of the American Chemical Society. PMID 31682441 DOI: 10.1021/jacs.9b08749  1
2019 Li H, Hayden SC, France-Lanord A, Converse E, Hanna BS, Headrick T, Drake K, Grossman JC. Tuning the potential energy landscape to suppress Ostwald Ripening in surface-supported catalyst systems. Nano Letters. PMID 31674187 DOI: 10.1021/acs.nanolett.9b02237  1
2019 Ryu GH, Zhu T, Chen J, Sinha S, Shautsova V, Grossman JC, Warner JH. Striated 2D Lattice with Sub-nm 1D Etch Channels by Controlled Thermally Induced Phase Transformations of PdSe. Advanced Materials (Deerfield Beach, Fla.). e1904251. PMID 31559669 DOI: 10.1002/adma.201904251  0.92
2019 Zang X, Jian C, Zhu T, Fan Z, Wang W, Wei M, Li B, Follmar Diaz M, Ashby P, Lu Z, Chu Y, Wang Z, Ding X, Xie Y, Chen J, ... ... Grossman JC, et al. Laser-sculptured ultrathin transition metal carbide layers for energy storage and energy harvesting applications. Nature Communications. 10: 3112. PMID 31308363 DOI: 10.1038/s41467-019-10999-z  0.84
2019 Morris OP, Zang X, Gregg A, Keller B, Getachew B, Ingersoll S, Elsen HA, Disko MM, Ferralis N, Grossman JC. Natural Carbon By-Products for Transparent Heaters: The Case of Steam-Cracker Tar. Advanced Materials (Deerfield Beach, Fla.). e1900331. PMID 31268196 DOI: 10.1002/adma.201900331  0.72
2019 Xie T, France-Lanord A, Wang Y, Shao-Horn Y, Grossman JC. Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials. Nature Communications. 10: 2667. PMID 31209223 DOI: 10.1038/s41467-019-10663-6  1
2019 Liu Y, Peard N, Grossman JC. Bandlike Transport in PbS Quantum Dot Superlattices with Quantum Confinement. The Journal of Physical Chemistry Letters. PMID 31185712 DOI: 10.1021/acs.jpclett.9b01282  1
2019 France-Lanord A, Grossman JC. Correlations from Ion Pairing and the Nernst-Einstein Equation. Physical Review Letters. 122: 136001. PMID 31012622 DOI: 10.1103/PhysRevLett.122.136001  1
2019 Jin B, Wang Y, Liu Z, France-Lanord A, Grossman JC, Jin C, Tang R. Revealing the Cluster-Cloud and Its Role in Nanocrystallization. Advanced Materials (Deerfield Beach, Fla.). e1808225. PMID 30847959 DOI: 10.1002/adma.201808225  1
2019 Strubbe DA, Grossman JC. Thermodynamic limits to energy conversion in solar thermal fuels. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 31: 034002. PMID 30523877 DOI: 10.1088/1361-648X/aaef5a  0.64
2018 Xie T, Grossman JC. Hierarchical visualization of materials space with graph convolutional neural networks. The Journal of Chemical Physics. 149: 174111. PMID 30409009 DOI: 10.1063/1.5047803  0.76
2018 Ryu GH, France-Lanord A, Wen Y, Zhou S, Grossman JC, Warner JH. Atomic Structure and Dynamics of Self-Limiting Sub-Nanometer Pores in Monolayer WS. Acs Nano. PMID 30375855 DOI: 10.1021/acsnano.8b07051  1
2018 Kong W, Li H, Qiao K, Kim Y, Lee K, Nie Y, Lee D, Osadchy T, Molnar RJ, Gaskill DK, Myers-Ward RL, Daniels KM, Zhang Y, Sundram S, Yu Y, ... ... Grossman JC, et al. Polarity governs atomic interaction through two-dimensional materials. Nature Materials. PMID 30297812 DOI: 10.1038/s41563-018-0176-4  1
2018 Han GGD, Deru JH, Cho EN, Grossman JC. Optically-regulated thermal energy storage in diverse organic phase-change materials. Chemical Communications (Cambridge, England). PMID 30187043 DOI: 10.1039/c8cc05919e  0.68
2018 Ahmad Z, Xie T, Maheshwari C, Grossman JC, Viswanathan V. Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes. Acs Central Science. 4: 996-1006. PMID 30159396 DOI: 10.1021/acscentsci.8b00229  0.76
2018 Chen Q, Li H, Zhou S, Xu W, Chen J, Sawada H, Allen CS, Kirkland AI, Grossman JC, Warner JH. Ultralong 1D Vacancy Channels for Rapid Atomic Migration during 2D Void Formation in Monolayer MoS. Acs Nano. PMID 30117727 DOI: 10.1021/acsnano.8b01610  1
2018 Kim D, Han H, Lee JH, Choi JW, Grossman JC, Jang HM, Kim D. Electron-hole separation in ferroelectric oxides for efficient photovoltaic responses. Proceedings of the National Academy of Sciences of the United States of America. PMID 29891684 DOI: 10.1073/pnas.1721503115  0.96
2018 Zhang Z, Li H, Miller R, Malissa H, Jamali S, Boehme C, Grossman JC, Ren S. Freestanding organic charge-transfer conformal electronics. Nano Letters. PMID 29856639 DOI: 10.1021/acs.nanolett.8b01342  1
2018 Xie T, Grossman JC. Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties. Physical Review Letters. 120: 145301. PMID 29694125 DOI: 10.1103/PhysRevLett.120.145301  0.76
2018 Liu Y, Kim D, Morris OP, Zhitomirsky D, Grossman JC. On the Origins of the Stokes Shift in PbS Quantum Dots: Impact of Polydispersity, Ligands and Defects. Acs Nano. PMID 29513986 DOI: 10.1021/acsnano.8b00132  1
2018 Wang PJ, Ferralis N, Conway C, Grossman JC, Edelman ER. Strain-induced accelerated asymmetric spatial degradation of polymeric vascular scaffolds. Proceedings of the National Academy of Sciences of the United States of America. PMID 29483243 DOI: 10.1073/pnas.1716420115  0.72
2017 Zhou S, Wang S, Li H, Xu W, Gong C, Grossman JC, Warner JH. Atomic Structure and Dynamics of Defects in 2D MoS Bilayers. Acs Omega. 2: 3315-3324. PMID 31457656 DOI: 10.1021/acsomega.7b00734  1
2017 Han GGD, Li H, Grossman JC. Optically-controlled long-term storage and release of thermal energy in phase-change materials. Nature Communications. 8: 1446. PMID 29133908 DOI: 10.1038/s41467-017-01608-y  1
2017 Li H, Grossman JC. Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range Disorder. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). 4: 1600467. PMID 28852610 DOI: 10.1002/advs.201600467  1
2017 Chen Q, Li H, Xu W, Wang S, Sawada H, Allen CS, Kirkland AI, Grossman JC, Warner JH. Atomically Flat Zigzag Edges in Monolayer MoS2 by Thermal Annealing. Nano Letters. PMID 28799770 DOI: 10.1021/acs.nanolett.7b02192  1
2017 Lee W, Li H, Wong AB, Zhang D, Lai M, Yu Y, Kong Q, Lin E, Urban JJ, Grossman JC, Yang P. Ultralow thermal conductivity in all-inorganic halide perovskites. Proceedings of the National Academy of Sciences of the United States of America. PMID 28760988 DOI: 10.1073/pnas.1711744114  1
2017 Wang S, Li H, Zhang J, Guo S, Xu W, Grossman JC, Warner JH. Epitaxial Templating of Two-Dimensional Metal Chloride Nanocrystals on Monolayer Molybdenum Disulfide. Acs Nano. PMID 28605178 DOI: 10.1021/acsnano.7b02838  1
2017 Wang S, Li H, Sawada H, Allen CS, Kirkland AI, Grossman JC, Warner JH. Atomic structure and formation mechanism of sub-nanometer pores in 2D monolayer MoS2. Nanoscale. PMID 28463370 DOI: 10.1039/c7nr01127j  1
2017 Li H, Wang S, Sawada H, Han GG, Samuels T, Allen CS, Kirkland AI, Grossman JC, Warner JH. Atomic Structure and Dynamics of Single Platinum Atom Interactions with Monolayer MoS2. Acs Nano. PMID 28256826 DOI: 10.1021/acsnano.7b00796  1
2017 Cho EN, Zhitomirsky D, Han GG, Liu Y, Grossman JC. Molecularly Engineered Azobenzene Derivatives for High Energy Density Solid-State Solar Thermal Fuels. Acs Applied Materials & Interfaces. PMID 28234453 DOI: 10.1021/acsami.6b15018  1
2017 Bardhan NM, Kumar PV, Li Z, Ploegh HL, Grossman JC, Belcher AM, Chen GY. Enhanced Cell Capture on Functionalized Graphene Oxide Nanosheets through Oxygen Clustering. Acs Nano. PMID 28085249 DOI: 10.1021/acsnano.6b06979  0.6
2016 Dave SH, Gong C, Robertson AW, Warner JH, Grossman JC. Correction to Chemistry and Structure of Graphene Oxide via Direct Imaging. Acs Nano. PMID 28026164 DOI: 10.1021/acsnano.6b07705  0.92
2016 Zhitomirsky D, Grossman JC. Conformal Electroplating of Azobenzene-Based Solar Thermal Fuels onto Large Area and Fiber Geometries. Acs Applied Materials & Interfaces. PMID 27611884 DOI: 10.1021/acsami.6b08034  0.96
2016 Dave SH, Gong C, Robertson AW, Warner JH, Grossman JC. Chemistry and Structure of Graphene Oxide via Direct Imaging. Acs Nano. PMID 27397115 DOI: 10.1021/acsnano.6b02391  1
2016 Kim JY, Grossman JC. Optimization of the Thermoelectric Figure of Merit in Crystalline C60 with Intercalation Chemistry. Nano Letters. PMID 27322341 DOI: 10.1021/acs.nanolett.6b01073  1
2016 Johlin E, Al-Obeidi A, Nogay G, Stuckelberger M, Buonassisi T, Grossman JC. Nanohole Structuring for Improved Performance of Hydrogenated Amorphous Silicon Photovoltaics. Acs Applied Materials & Interfaces. PMID 27227369 DOI: 10.1021/acsami.6b00033  1
2016 Raffone F, Ataca C, Grossman JC, Cicero G. MoS2 Enhanced T-Phase Stabilization and Tunability Through Alloying. The Journal of Physical Chemistry Letters. PMID 27225447 DOI: 10.1021/acs.jpclett.6b00794  1
2016 Keller BD, Ferralis N, Grossman JC. Rethinking Coal: Thin Films of Solution Processed Natural Carbon Nanoparticles for Electronic Devices. Nano Letters. PMID 27031328 DOI: 10.1021/acs.nanolett.5b04735  1
2016 Xu B, Li H, Li H, Wilson AJ, Zhang L, Chen K, Willets K, Ren F, Grossman JC, Ren S. Chemically driven interfacial coupling in charge-transfer mediated functional superstructures. Nano Letters. PMID 26999430 DOI: 10.1021/acs.nanolett.6b00712  1
2016 Smith BD, Patil JJ, Ferralis N, Grossman JC. Catalyst Self-Assembly for Scalable Patterning of Sub 10 nm Ultrahigh Aspect Ratio Nanopores in Silicon. Acs Applied Materials & Interfaces. PMID 26999295 DOI: 10.1021/acsami.6b01927  1
2016 Wang C, Yang S, Cai H, Ataca C, Chen H, Zhang X, Xu J, Chen B, Wu K, Zhang H, Liu L, Li J, Grossman JC, Tongay S, Liu Q. Enhancing light emission efficiency without color change in post-transition metal chalcogenides. Nanoscale. PMID 26928022 DOI: 10.1039/c5nr08692b  0.76
2016 Ko DK, Maurano A, Suh SK, Kim D, Hwang GW, Grossman JC, Bulović V, Bawendi MG. Photovoltaic Performance of PbS Quantum Dots Treated with Metal Salts. Acs Nano. PMID 26909739 DOI: 10.1021/acsnano.5b07186  0.76
2016 Cohen-Tanugi D, Lin LC, Grossman JC. Multilayer Nanoporous Graphene Membranes for Water Desalination. Nano Letters. PMID 26806020 DOI: 10.1021/acs.nanolett.5b04089  1
2016 Yang S, Wang C, Ataca C, Li Y, Chen H, Cai H, Suslu A, Grossman JC, Jiang C, Liu Q, Tongay S. Self-Driven Photodetector and Ambipolar Transistor in Atomically Thin GaTe-MoS2 p-n vdW Heterostructure. Acs Applied Materials & Interfaces. PMID 26796869 DOI: 10.1021/acsami.5b10001  1
2016 Koh AL, Wang S, Ataca C, Grossman JC, Sinclair R, Warner JH. Torsional Deformations in Subnanometer MoS Interconnecting Wires. Nano Letters. PMID 26785319 DOI: 10.1021/acs.nanolett.5b04507  0.76
2016 Li H, Zhitomirsky D, Dave S, Grossman JC. Towards the Ultimate Limit of Connectivity in Quantum Dots with High Mobility and Clean Gaps. Acs Nano. PMID 26743175 DOI: 10.1021/acsnano.5b05626  1
2016 Bernardi M, Grossman JC. Computer calculations across time and length scales in photovoltaic solar cells Energy and Environmental Science. 9: 2197-2218. DOI: 10.1039/c6ee01010e  1
2016 Li H, Zhitomirsky D, Grossman JC. Tunable and Energetically Robust PbS Nanoplatelets for Optoelectronic Applications Chemistry of Materials. 28: 1888-1896. DOI: 10.1021/acs.chemmater.6b00167  1
2016 Liu Y, Ferralis N, Bryndzia LT, Grossman JC. Genome-inspired molecular identification in organic matter via Raman spectroscopy Carbon. 101: 361-367. DOI: 10.1016/j.carbon.2016.02.017  1
2016 Kumar PV, Bardhan NM, Chen GY, Li Z, Belcher AM, Grossman JC. New insights into the thermal reduction of graphene oxide: Impact of oxygen clustering Carbon. 100: 90-98. DOI: 10.1016/j.carbon.2015.12.087  1
2015 Xu B, Li H, Hall A, Gao W, Gong M, Yuan G, Grossman J, Ren S. All-polymeric control of nanoferronics. Science Advances. 1: e1501264. PMID 26824068 DOI: 10.1126/sciadv.1501264  1
2015 Lin LC, Grossman JC. Atomistic understandings of reduced graphene oxide as an ultrathin-film nanoporous membrane for separations. Nature Communications. 6: 8335. PMID 26395422 DOI: 10.1038/ncomms9335  1
2015 Lin LC, Choi J, Grossman JC. Two-dimensional covalent triazine framework as an ultrathin-film nanoporous membrane for desalination. Chemical Communications (Cambridge, England). PMID 26302966 DOI: 10.1039/c5cc05969k  1
2015 Qin W, Chen X, Li H, Gong M, Yuan G, Grossman JC, Wuttig M, Ren S. Room Temperature Multiferroicity of Charge Transfer Crystals. Acs Nano. 9: 9373-9. PMID 26257033 DOI: 10.1021/acsnano.5b03558  0.76
2015 Hwang GW, Kim D, Cordero JM, Wilson MW, Chuang CM, Grossman JC, Bawendi MG. Identifying and Eliminating Emissive Sub-bandgap States in Thin Films of PbS Nanocrystals. Advanced Materials (Deerfield Beach, Fla.). PMID 26134373 DOI: 10.1002/adma.201501156  0.76
2015 Manzano H, Durgun E, Lopez Arbeloa I, Grossman JC. Insight on Tricalcium Silicate Hydration and Dissolution Mechanism from Molecular Simulations. Acs Applied Materials & Interfaces. PMID 26107551 DOI: 10.1021/acsami.5b02505  1
2015 He K, Robertson AW, Gong C, Allen CS, Xu Q, Zandbergen H, Grossman JC, Kirkland AI, Warner JH. Controlled formation of closed-edge nanopores in graphene. Nanoscale. PMID 26088477 DOI: 10.1039/c5nr02277k  0.76
2015 Kim JY, Grossman JC. High-efficiency thermoelectrics with functionalized graphene. Nano Letters. 15: 2830-5. PMID 25844647 DOI: 10.1021/nl504257q  1
2015 Palummo M, Bernardi M, Grossman JC. Exciton radiative lifetimes in two-dimensional transition metal dichalcogenides. Nano Letters. 15: 2794-800. PMID 25798735 DOI: 10.1021/nl503799t  1
2015 Ferralis N, Jagannathan D, Grossman JC, Van Vliet KJ. Unintended consequences: Why carbonation can dominate in microscale hydration of calcium silicates Journal of Materials Research. 30: 2425-2433. DOI: 10.1557/jmr.2015.224  1
2015 Romano G, Grossman JC. Heat conduction in nanostructured materials predicted by phonon bulk mean free path distribution Journal of Heat Transfer. 137. DOI: 10.1115/1.4029775  1
2015 Strubbe DA, Johlin EC, Kirkpatrick TR, Buonassisi T, Grossman JC. Stress effects on the Raman spectrum of an amorphous material: Theory and experiment on a -Si:H Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.241202  1
2015 Sklan SR, Grossman JC. Sound and noisy light: Optical control of phonons in photoswitchable structures Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.165107  0.76
2015 Saritas K, Ataca C, Grossman JC. Predicting electronic structure in tricalcium silicate phases with impurities using first-principles Journal of Physical Chemistry C. 119: 5074-5079. DOI: 10.1021/jp510597e  1
2015 Cohen-Tanugi D, Grossman JC. Nanoporous graphene as a reverse osmosis membrane: Recent insights from theory and simulation Desalination. 366: 59-70. DOI: 10.1016/j.desal.2014.12.046  1
2015 Ferralis N, Liu Y, Bake KD, Pomerantz AE, Grossman JC. Direct correlation between aromatization of carbon-rich organic matter and its visible electronic absorption edge Carbon. 88: 139-147. DOI: 10.1016/j.carbon.2015.02.075  1
2015 Zhitomirsky D, Cho E, Grossman JC. Solid-State Solar Thermal Fuels for Heat Release Applications Advanced Energy Materials. DOI: 10.1002/aenm.201502006  1
2015 Li H, Strubbe DA, Grossman JC. Functionalized Graphene Superlattice as a Single-Sheet Solar Cell Advanced Functional Materials. 25: 5199-5205. DOI: 10.1002/adfm.201501906  1
2014 Liu Y, Grossman JC. Accelerating the design of solar thermal fuel materials through high throughput simulations. Nano Letters. 14: 7046-50. PMID 25372463 DOI: 10.1021/nl5034073  1
2014 Cohen-Tanugi D, Grossman JC. Mechanical strength of nanoporous graphene as a desalination membrane. Nano Letters. 14: 6171-8. PMID 25357231 DOI: 10.1021/nl502399y  1
2014 Musso T, Kumar PV, Foster AS, Grossman JC. Graphene oxide as a promising hole injection layer for MoS₂-based electronic devices. Acs Nano. 8: 11432-9. PMID 25347209 DOI: 10.1021/nn504507u  1
2014 Börjesson K, ?oso D, Gray V, Grossman JC, Guan J, Harris CB, Hertkorn N, Hou Z, Kanai Y, Lee D, Lomont JP, Majumdar A, Meier SK, Moth-Poulsen K, Myrabo RL, et al. Exploring the potential of fulvalene dimetals as platforms for molecular solar thermal energy storage: computations, syntheses, structures, kinetics, and catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 15587-604. PMID 25284044 DOI: 10.1002/chem.201404170  1
2014 Cohen-Tanugi D, Grossman JC. Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination. The Journal of Chemical Physics. 141: 074704. PMID 25149803 DOI: 10.1063/1.4892638  1
2014 Gong M, Shastry TA, Xie Y, Bernardi M, Jasion D, Luck KA, Marks TJ, Grossman JC, Ren S, Hersam MC. Polychiral semiconducting carbon nanotube-fullerene solar cells. Nano Letters. 14: 5308-14. PMID 25101896 DOI: 10.1021/nl5027452  1
2014 Raghunathan R, Johlin E, Grossman JC. Grain boundary engineering for improved thin silicon photovoltaics. Nano Letters. 14: 4943-50. PMID 24963798 DOI: 10.1021/nl501020q  1
2014 Brown PR, Kim D, Lunt RR, Zhao N, Bawendi MG, Grossman JC, Bulovi? V. Energy level modification in lead sulfide quantum dot thin films through ligand exchange. Acs Nano. 8: 5863-72. PMID 24824726 DOI: 10.1021/nn500897c  1
2014 Kucharski TJ, Ferralis N, Kolpak AM, Zheng JO, Nocera DG, Grossman JC. Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels. Nature Chemistry. 6: 441-7. PMID 24755597 DOI: 10.1038/nchem.1918  1
2014 Kumar PV, Bardhan NM, Tongay S, Wu J, Belcher AM, Grossman JC. Scalable enhancement of graphene oxide properties by thermally driven phase transformation. Nature Chemistry. 6: 151-8. PMID 24451592 DOI: 10.1038/nchem.1820  1
2014 Johlin E, Simmons CB, Buonassisi T, Grossman JC. Hole-mobility-limiting atomic structures in hydrogenated amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.104103  1
2014 Mueller T, Johlin E, Grossman JC. Origins of hole traps in hydrogenated nanocrystalline and amorphous silicon revealed through machine learning Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.115202  1
2014 Sklan SR, Grossman JC. Phonon diodes and transistors from magneto-acoustics New Journal of Physics. 16. DOI: 10.1088/1367-2630/16/5/053029  1
2014 Risplendi F, Bernardi M, Cicero G, Grossman JC. Structure-property relations in amorphous carbon for photovoltaics Applied Physics Letters. 105. DOI: 10.1063/1.4891498  1
2014 Romano G, Grossman JC. Toward phonon-boundary engineering in nanoporous materials Applied Physics Letters. 105. DOI: 10.1063/1.4891362  1
2014 Cohen-Tanugi D, McGovern RK, Dave SH, Lienhard JH, Grossman JC. Quantifying the potential of ultra-permeable membranes for water desalination Energy and Environmental Science. 7: 1134-1141. DOI: 10.1039/c3ee43221a  1
2014 Kucharski TJ, Ferralis N, Kolpak AM, Zheng JO, Nocera DG, Grossman JC. Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels Nature Chemistry. 6: 441-447. DOI: 10.1038/nchem1918  1
2014 Durgun E, Manzano H, Kumar PV, Grossman JC. The characterization, stability, and reactivity of synthetic calcium silicate surfaces from first principles Journal of Physical Chemistry C. 118: 15214-15219. DOI: 10.1021/jp408325f  1
2013 Johlin E, Wagner LK, Buonassisi T, Grossman JC. Origins of structural hole traps in hydrogenated amorphous silicon. Physical Review Letters. 110: 146805. PMID 25167024 DOI: 10.1103/PhysRevLett.110.146805  1
2013 Tongay S, Suh J, Ataca C, Fan W, Luce A, Kang JS, Liu J, Ko C, Raghunathanan R, Zhou J, Ogletree F, Li J, Grossman JC, Wu J. Defects activated photoluminescence in two-dimensional semiconductors: interplay between bound, charged, and free excitons. Scientific Reports. 3: 2657. PMID 24029823 DOI: 10.1038/srep02657  1
2013 Bernardi M, Palummo M, Grossman JC. Extraordinary sunlight absorption and one nanometer thick photovoltaics using two-dimensional monolayer materials. Nano Letters. 13: 3664-70. PMID 23750910 DOI: 10.1021/nl401544y  1
2013 Kim D, Kim DH, Lee JH, Grossman JC. Impact of stoichiometry on the electronic structure of PbS quantum dots. Physical Review Letters. 110: 196802. PMID 23705733 DOI: 10.1103/PhysRevLett.110.196802  1
2013 Tongay S, Zhou J, Ataca C, Liu J, Kang JS, Matthews TS, You L, Li J, Grossman JC, Wu J. Broad-range modulation of light emission in two-dimensional semiconductors by molecular physisorption gating. Nano Letters. 13: 2831-6. PMID 23627637 DOI: 10.1021/nl4011172  1
2013 Kumar PV, Bernardi M, Grossman JC. The impact of functionalization on the stability, work function, and photoluminescence of reduced graphene oxide. Acs Nano. 7: 1638-45. PMID 23368710 DOI: 10.1021/nn305507p  1
2013 Kolpak AM, Grossman JC. Hybrid chromophore/template nanostructures: a customizable platform material for solar energy storage and conversion. The Journal of Chemical Physics. 138: 034303. PMID 23343272 DOI: 10.1063/1.4773306  1
2013 Cohen-Tanugi D, Dave SH, McGovern RK, Lienhard V JH, Grossman JC. Novel nanomaterials for water desalination technology 2013 1st Ieee Conference On Technologies For Sustainability, Sustech 2013. 272-275. DOI: 10.1109/SusTech.2013.6617333  1
2013 Ertekin E, Wagner LK, Grossman JC. Point-defect optical transitions and thermal ionization energies from quantum Monte Carlo methods: Application to the F-center defect in MgO Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.155210  1
2013 Sklan SR, Alex Greaney P, Grossman JC. Resonant behavior in heat transfer across weak molecular interfaces Journal of Applied Physics. 114. DOI: 10.1063/1.4851035  1
2013 Newman BK, Ertekin E, Sullivan JT, Winkler MT, Marcus MA, Fakra SC, Sher MJ, Mazur E, Grossman JC, Buonassisi T. Extended X-ray absorption fine structure spectroscopy of selenium-hyperdoped silicon Journal of Applied Physics. 114. DOI: 10.1063/1.4824279  1
2013 Durgun E, Grossman JC. Photoswitchable molecular rings for solar-thermal energy storage Journal of Physical Chemistry Letters. 4: 854-860. DOI: 10.1021/jz301877n  1
2013 Bernardi M, Grossman JC. Optimal sunlight harvesting in photovoltaics and photosynthesis Journal of Physical Chemistry C. 117: 26896-26904. DOI: 10.1021/jp4090348  1
2013 Kumar PV, Short MP, Yip S, Yildiz B, Grossman JC. High surface reactivity and water adsorption on NiFe2O 4 (111) surfaces Journal of Physical Chemistry C. 117: 5678-5683. DOI: 10.1021/jp309434a  1
2012 Tongay S, Zhou J, Ataca C, Lo K, Matthews TS, Li J, Grossman JC, Wu J. Thermally driven crossover from indirect toward direct bandgap in 2D semiconductors: MoSe2 versus MoS2. Nano Letters. 12: 5576-80. PMID 23098085 DOI: 10.1021/nl302584w  1
2012 Bernardi M, Palummo M, Grossman JC. Semiconducting monolayer materials as a tunable platform for excitonic solar cells. Acs Nano. 6: 10082-9. PMID 23062107 DOI: 10.1021/nn303815z  1
2012 Bernardi M, Palummo M, Grossman JC. Optoelectronic properties in monolayers of hybridized graphene and hexagonal boron nitride. Physical Review Letters. 108: 226805. PMID 23003640 DOI: 10.1103/PhysRevLett.108.226805  1
2012 Kim JY, Lee JH, Grossman JC. Thermal transport in functionalized graphene. Acs Nano. 6: 9050-7. PMID 22973878 DOI: 10.1021/nn3031595  1
2012 Bernardi M, Lohrman J, Kumar PV, Kirkeminde A, Ferralis N, Grossman JC, Ren S. Nanocarbon-based photovoltaics. Acs Nano. 6: 8896-903. PMID 22953746 DOI: 10.1021/nn302893p  1
2012 Harpham MR, Nguyen SC, Hou Z, Grossman JC, Harris CB, Mara MW, Stickrath AB, Kanai Y, Kolpak AM, Lee D, Liu DJ, Lomont JP, Moth-Poulsen K, Vinokurov N, Chen LX, et al. X-ray transient absorption and picosecond IR spectroscopy of fulvalene(tetracarbonyl)diruthenium on photoexcitation. Angewandte Chemie (International Ed. in English). 51: 7692-6. PMID 22740313 DOI: 10.1002/anie.201202952  1
2012 Cohen-Tanugi D, Grossman JC. Water desalination across nanoporous graphene. Nano Letters. 12: 3602-8. PMID 22668008 DOI: 10.1021/nl3012853  1
2012 Wagner LK, Majzoub EH, Allendorf MD, Grossman JC. Tuning metal hydride thermodynamics via size and composition: Li-H, Mg-H, Al-H, and Mg-Al-H nanoclusters for hydrogen storage. Physical Chemistry Chemical Physics : Pccp. 14: 6611-6. PMID 22456531 DOI: 10.1039/c2cp24063g  1
2012 Ertekin E, Winkler MT, Recht D, Said AJ, Aziz MJ, Buonassisi T, Grossman JC. Insulator-to-metal transition in selenium-hyperdoped silicon: observation and origin. Physical Review Letters. 108: 026401. PMID 22324699 DOI: 10.1103/PhysRevLett.108.026401  1
2012 Van Vliet K, Pellenq R, Buehler MJ, Grossman JC, Jennings H, Ulm FJ, Yip S. Set in stone? A perspective on the concrete sustainability challenge Mrs Bulletin. 37: 395-402. DOI: 10.1557/mrs.2012.55  1
2012 Ertekin E, Srinivasan V, Ravichandran J, Rossen PB, Siemons W, Majumdar A, Ramesh R, Grossman JC. Interplay between intrinsic defects, doping, and free carrier concentration in SrTiO 3 thin films Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.195460  1
2012 Johlin E, Tabet N, Castro-Galnares S, Abdallah A, Bertoni MI, Asafa T, Grossman JC, Said S, Buonassisi T. Structural origins of intrinsic stress in amorphous silicon thin films Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.075202  1
2012 Bernardi M, Ferralis N, Wan JH, Villalon R, Grossman JC. Solar energy generation in three dimensions Energy and Environmental Science. 5: 6880-6884. DOI: 10.1039/c2ee21170j  1
2012 Kumar PV, Short MP, Yip S, Yildiz B, Grossman JC. First-principles assessment of the reactions of boric acid on NiO(001) and ZrO 2(1̄11) surfaces Journal of Physical Chemistry C. 116: 10113-10119. DOI: 10.1021/jp301607h  1
2012 Durgun E, Manzano H, Pellenq RJM, Grossman JC. Understanding and controlling the reactivity of the calcium silicate phases from first principles Chemistry of Materials. 24: 1262-1267. DOI: 10.1021/cm203127m  1
2012 Romano G, Di Carlo A, Grossman JC. Mesoscale modeling of phononic thermal conductivity of porous Si: Interplay between porosity, morphology and surface roughness Journal of Computational Electronics. 11: 8-13. DOI: 10.1007/s10825-012-0390-2  1
2011 Schebarchov D, Hendy SC, Ertekin E, Grossman JC. Interplay of wetting and elasticity in the nucleation of carbon nanotubes. Physical Review Letters. 107: 185503. PMID 22107643 DOI: 10.1103/PhysRevLett.107.185503  1
2011 Ren S, Bernardi M, Lunt RR, Bulovic V, Grossman JC, Grade?ak S. Toward efficient carbon nanotube/P3HT solar cells: active layer morphology, electrical, and optical properties. Nano Letters. 11: 5316-21. PMID 22023484 DOI: 10.1021/nl202796u  1
2011 Kolpak AM, Grossman JC. Azobenzene-functionalized carbon nanotubes as high-energy density solar thermal fuels. Nano Letters. 11: 3156-62. PMID 21688811 DOI: 10.1021/nl201357n  1
2011 Raghunathan R, Greaney PA, Grossman JC. Phonostat: thermostatting phonons in molecular dynamics simulations. The Journal of Chemical Physics. 134: 214117. PMID 21663354 DOI: 10.1063/1.3597605  1
2011 Cho J, Berbil-Bautista L, Pechenezhskiy IV, Levy N, Meier SK, Srinivasan V, Kanai Y, Grossman JC, Vollhardt KP, Crommie MF. Single-molecule-resolved structural changes induced by temperature and light in surface-bound organometallic molecules designed for energy storage. Acs Nano. 5: 3701-6. PMID 21480634 DOI: 10.1021/nn2000367  1
2011 He Y, Donadio D, Lee JH, Grossman JC, Galli G. Thermal transport in nanoporous silicon: interplay between disorder at mesoscopic and atomic scales. Acs Nano. 5: 1839-44. PMID 21309558 DOI: 10.1021/nn2003184  1
2011 Bernardi M, Giulianini M, Motta N, Grossman JC. Evidence of conjugation enhancement in P3HT/SWNT mixtures for organic photovoltaics Materials Research Society Symposium Proceedings. 1286: 126-134. DOI: 10.1557/opl.2011.237  1
2011 Johlin E, Castro-Galnares S, Abdallah A, Tabet N, Bertoni MI, Asafa T, Grossman JC, Sayed S, Buonassisi T. Stress engineering in amorphous silicon thin films Conference Record of the Ieee Photovoltaic Specialists Conference. 000176-000178. DOI: 10.1109/PVSC.2011.6185874  1
2011 Lee JH, Grossman JC. Energy gap of Kronig-Penney-type hydrogenated graphene superlattices Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.113413  1
2011 Manzano H, Durgun E, Abdolhosseine Qomi MJ, Ulm FJ, Pellenq RJM, Grossman JC. Impact of chemical impurities on the crystalline cement clinker phases determined by atomistic simulations Crystal Growth and Design. 11: 2964-2972. DOI: 10.1021/cg200212c  1
2011 Greaney PA, Lani G, Cicero G, Grossman JC. Mpemba-like behavior in carbon nanotube resonators Metallurgical and Materials Transactions a: Physical Metallurgy and Materials Science. 42: 3907-3912. DOI: 10.1007/s11661-011-0843-4  1
2011 Alex Greaney P, Grossman JC. Simulating thermomechanical phenomena of nanoscale systems Rsc Theoretical and Computational Chemistry Series. 109-146.  1
2010 Bernardi M, Giulianini M, Grossman JC. Self-assembly and its impact on interfacial charge transfer in carbon nanotube/P3HT solar cells. Acs Nano. 4: 6599-606. PMID 21028847 DOI: 10.1021/nn1018297  1
2010 Kanai Y, Srinivasan V, Meier SK, Vollhardt KP, Grossman JC. Mechanism of thermal reversal of the (fulvalene)tetracarbonyldiruthenium photoisomerization: toward molecular solar-thermal energy storage. Angewandte Chemie (International Ed. in English). 49: 8926-9. PMID 20949567 DOI: 10.1002/anie.201002994  1
2010 Wagner LK, Grossman JC. Quantum Monte Carlo calculations for minimum energy structures. Physical Review Letters. 104: 210201. PMID 20867077 DOI: 10.1103/PhysRevLett.104.210201  1
2010 Kanai Y, Khalap VR, Collins PG, Grossman JC. Atomistic oxidation mechanism of a carbon nanotube in nitric acid. Physical Review Letters. 104: 066401. PMID 20366836 DOI: 10.1103/PhysRevLett.104.066401  1
2010 Lee JH, Wu J, Grossman JC. Enhancing the thermoelectric power factor with highly mismatched isoelectronic doping. Physical Review Letters. 104: 016602. PMID 20366377 DOI: 10.1103/PhysRevLett.104.016602  1
2010 Kanai Y, Neaton JB, Grossman JC. Theory and simulation of nanostructured materials for photovoltaic applications Computing in Science and Engineering. 12: 18-27. DOI: 10.1109/MCSE.2010.50  1
2010 Lee JH, Grossman JC. Magnetic properties in graphene-graphane superlattices Applied Physics Letters. 97. DOI: 10.1063/1.3495771  1
2010 Myers B, Bernardi M, Grossman JC. Three-dimensional photovoltaics Applied Physics Letters. 96. DOI: 10.1063/1.3308490  1
2010 Kanai Y, Wu Z, Grossman JC. Charge separation in nanoscale photovoltaic materials: Recent insights from first-principles electronic structure theory Journal of Materials Chemistry. 20: 1053-1061. DOI: 10.1039/b913277p  1
2009 Cao J, Ertekin E, Srinivasan V, Fan W, Huang S, Zheng H, Yim JW, Khanal DR, Ogletree DF, Grossman JC, Wu J. Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal vanadium dioxide beams. Nature Nanotechnology. 4: 732-7. PMID 19893528 DOI: 10.1038/nnano.2009.266  1
2009 Greaney PA, Lani G, Cicero G, Grossman JC. Anomalous dissipation in single-walled carbon nanotube resonators. Nano Letters. 9: 3699-703. PMID 19863081 DOI: 10.1021/nl901706y  1
2009 Wu Z, Allendorf MD, Grossman JC. Quantum Monte Carlo simulation of nanoscale MgH2 cluster thermodynamics. Journal of the American Chemical Society. 131: 13918-9. PMID 19739635 DOI: 10.1021/ja905639m  1
2009 Wu Z, Neaton JB, Grossman JC. Charge separation via strain in silicon nanowires. Nano Letters. 9: 2418-22. PMID 19462970 DOI: 10.1021/nl9010854  1
2009 Fan W, Huang S, Cao J, Ertekin E, Barrett C, Khanal DR, Grossman JC, Wu J. Superelastic metal-insulator phase transition in single-crystal VO2 nanobeams Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.241105  1
2009 Begtrup GE, Gannett W, Meyer JC, Yuzvinsky TD, Ertekin E, Grossman JC, Zettl A. Facets of nanotube synthesis: High-resolution transmission electron microscopy study and density functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.205409  1
2009 Wu Z, Kanai Y, Grossman JC. Quantum Monte Carlo calculations of the energy-level alignment at hybrid interfaces: Role of many-body effects Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.201309  1
2009 Kanai Y, Grossman JC. Role of exchange in density-functional theory for weakly interacting systems: Quantum Monte Carlo analysis of electron density and interaction energy Physical Review a - Atomic, Molecular, and Optical Physics. 80. DOI: 10.1103/PhysRevA.80.032504  1
2009 Lee JH, Grossman JC. Thermoelectric properties of nanoporous Ge Applied Physics Letters. 95. DOI: 10.1063/1.3159813  1
2009 Bhakta RK, Herberg JL, Behrens R, Wu Z, Grossman JC, Allendorf MD. Experimental and computational investigation of MOF-templated metal hydride nanoparticles Acs National Meeting Book of Abstracts 1
2008 Wagner LK, Grossman JC. Microscopic description of light induced defects in amorphous silicon solar cells. Physical Review Letters. 101: 265501. PMID 19437650 DOI: 10.1103/PhysRevLett.101.265501  1
2008 Srinivasan V, Cicero G, Grossman JC. Adsorption-induced surface stresses in alkanethiolate-au self-assembled monolayers. Physical Review Letters. 101: 185504. PMID 18999840 DOI: 10.1103/PhysRevLett.101.185504  1
2008 Lee JH, Galli GA, Grossman JC. Nanoporous Si as an efficient thermoelectric material. Nano Letters. 8: 3750-4. PMID 18947211 DOI: 10.1021/nl802045f  1
2008 Greaney PA, Grossman JC. Nanomechanical resonance spectroscopy: a novel route to ultrasensitive label-free detection. Nano Letters. 8: 2648-52. PMID 18707177 DOI: 10.1021/nl0808278  1
2008 Wu Z, Grossman JC. Prediction of ultra-high aspect ratio nanowires from self-assembly. Nano Letters. 8: 2697-705. PMID 18698731 DOI: 10.1021/nl801025c  1
2008 Wu Z, Neaton JB, Grossman JC. Quantum confinement and electronic properties of tapered silicon nanowires. Physical Review Letters. 100: 246804. PMID 18643610 DOI: 10.1103/PhysRevLett.100.246804  1
2008 Kanai Y, Grossman JC. Role of semiconducting and metallic tubes in P3HT/carbon-nanotube photovoltaic heterojunctions: density functional theory calculations. Nano Letters. 8: 908-12. PMID 18290634 DOI: 10.1021/nl0732777  1
2008 Cicero G, Grossman JC, Schwegler E, Gygi F, Galli G. Water confined in nanotubes and between graphene sheets: a first principle study. Journal of the American Chemical Society. 130: 1871-8. PMID 18211065 DOI: 10.1021/ja074418+  1
2008 Kanai Y, Grossman JC. QMC assessments of weak-interaction described by dft within various xc approximations / effects of carbon nanotube oxidation on molecular interactions Materials Research Society Symposium Proceedings. 1084: 1-14.  1
2007 Friddle RW, Lemieux MC, Cicero G, Artyukhin AB, Tsukruk VV, Grossman JC, Galli G, Noy A. Single functional group interactions with individual carbon nanotubes. Nature Nanotechnology. 2: 692-7. PMID 18654407 DOI: 10.1038/nnano.2007.334  1
2007 Kanai Y, Grossman JC. Insights on interfacial charge transfer across P3HT/fullerene photovoltaic heterojunction from Ab initio calculations. Nano Letters. 7: 1967-72. PMID 17547466 DOI: 10.1021/nl0707095  1
2007 Greaney PA, Grossman JC. Nanomechanical energy transfer and resonance effects in single-walled carbon nanotubes. Physical Review Letters. 98: 125503. PMID 17501135 DOI: 10.1103/PhysRevLett.98.125503  1
2007 Lee JH, Grossman JC, Reed J, Galli G. Lattice thermal conductivity of nanoporous Si: Molecular dynamics study Applied Physics Letters. 91. DOI: 10.1063/1.2817739  1
2007 Lee S, Zhitomirsky D, Grossman JC. Manipulating Electronic Energy Disorder in Colloidal Quantum Dot Solids for Enhanced Charge Carrier Transport Advanced Functional Materials. DOI: 10.1002/adfm.201504816  1
2005 Prendergast D, Grossman JC, Galli G. The electronic structure of liquid water within density-functional theory. The Journal of Chemical Physics. 123: 014501. PMID 16035849 DOI: 10.1063/1.1940612  1
2005 Cicero G, Grossman JC, Catellani A, Galli G. Water at a hydrophilic solid surface probed by ab initio molecular dynamics: inhomogeneous thin layers of dense fluid. Journal of the American Chemical Society. 127: 6830-5. PMID 15869306 DOI: 10.1021/ja042963u  1
2005 Grossman JC, Mitas L. Efficient quantum monte carlo energies for molecular dynamics simulations. Physical Review Letters. 94: 056403. PMID 15783668 DOI: 10.1103/PhysRevLett.94.056403  1
2004 Prendergast D, Grossman JC, Williamson AJ, Fattebert JL, Galli G. Optical properties of silicon clusters in the presence of water: a first principles theoretical analysis. Journal of the American Chemical Society. 126: 13827-37. PMID 15493943 DOI: 10.1021/ja048038p  1
2004 Schwegler E, Grossman JC, Gygi F, Galli G. Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II. The Journal of Chemical Physics. 121: 5400-9. PMID 15352834 DOI: 10.1063/1.1782074  1
2004 Aspuru-Guzik A, El Akramine O, Grossman JC, Lester WA. Quantum Monte Carlo for electronic excitations of free-base porphyrin. The Journal of Chemical Physics. 120: 3049-50. PMID 15268455 DOI: 10.1063/1.1646356  1
2004 Draeger EW, Grossman JC, Williamson AJ, Galli G. Optical properties of passivated silicon nanoclusters: the role of synthesis. The Journal of Chemical Physics. 120: 10807-14. PMID 15268108 DOI: 10.1063/1.1738633  1
2004 Grossman JC, Schwegler E, Draeger EW, Gygi F, Galli G. Towards an assessment of the accuracy of density functional theory for first principles simulations of water. The Journal of Chemical Physics. 120: 300-11. PMID 15267290 DOI: 10.1063/1.1630560  1
2004 Grossman JC, Schwegler E, Galli G. Quantum and classical molecular dynamics simulations of hydrophobic hydration structure around small solutes Journal of Physical Chemistry B. 108: 15865-15872. DOI: 10.1021/jp0470187  1
2003 Draeger EW, Grossman JC, Williamson AJ, Galli G. Influence of synthesis conditions on the structural and optical properties of passivated silicon nanoclusters. Physical Review Letters. 90: 167402. PMID 12732006  1
2003 Puzder A, Williamson AJ, Grossman JC, Galli G. Computational studies of the optical emission of silicon nanocrystals. Journal of the American Chemical Society. 125: 2786-91. PMID 12603167 DOI: 10.1021/ja0293296  1
2003 Draeger EW, Grossman JC, Williamson AJ, Galli G. Synthesis dynamics of passivated silicon nanoclusters Physica Status Solidi (B) Basic Research. 239: 11-18. DOI: 10.1002/pssb.200303232  1
2003 Benedict LX, Puzder A, Williamson AJ, Grossman JC, Galli G, Klepeis JE, Raty JY, Pankratov O. Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation Physical Review B - Condensed Matter and Materials Physics. 68: 853101-853108.  1
2002 Williamson AJ, Grossman JC, Hood RQ, Puzder A, Galli G. Quantum Monte Carlo calculations of nanostructure optical gaps: application to silicon quantum dots. Physical Review Letters. 89: 196803. PMID 12443140  1
2002 Puzder A, Williamson AJ, Grossman JC, Galli G. Surface chemistry of silicon nanoclusters. Physical Review Letters. 88: 097401. PMID 11864049  1
2002 Puzder A, Williamson AJ, Grossman JC, Galli G. Surface control of optical properties in silicon nanoclusters Journal of Chemical Physics. 117: 6721-6729. DOI: 10.1063/1.1504707  1
2002 Grossman JC. Benchmark quantum Monte Carlo calculations Journal of Chemical Physics. 117: 1434-1440. DOI: 10.1063/1.1487829  1
2002 Puzder A, Williamson AJ, Grossman JC, Galli G. Passivation effects of silicon nanoclusters Materials Science and Engineering B: Solid-State Materials For Advanced Technology. 96: 80-85. DOI: 10.1016/S0921-5107(02)00295-7  1
2002 Grossman JC, Colvin ME, Tran NL, Louie SG, Cohen ML. Aromaticity and hydrogenation patterns in highly strained fullerenes Chemical Physics Letters. 356: 247-253. DOI: 10.1016/S0009-2614(02)00307-X  1
2002 Puzder A, Williamson AJ, Grossman JC, Galli G. Simulation of semiconductor nanostructures Physica Status Solidi (B) Basic Research. 233: 39-48. DOI: 10.1002/1521-3951(200209)233:1<39::AID-PSSB39>3.0.CO;2-A  1
2002 Galli G, Puzder A, Williamson AJ, Grossman JC, Pizzagalli L. Structural and electronic properties of quantum dot surfaces 2002 International Conference On Computational Nanoscience and Nanotechnology - Iccn 2002. 255-258.  1
2002 Pradhan BK, Harutyunyan AR, Stojkovic D, Grossman JC, Zhang P, Cole MW, Crespi V, Goto H, Fujiwara J, Eklund PC. Large cryogenic storage of hydrogen in carbon nanotubes at low pressures Journal of Materials Research. 17: 2209-2216.  1
2001 Williamson AJ, Hood RQ, Grossman JC. Linear-scaling quantum Monte Carlo calculations. Physical Review Letters. 87: 246406. PMID 11736525  1
2001 Grossman JC, Rohlfing M, Mitas L, Louie SG, Cohen ML. High accuracy many-body calculational approaches for excitations in molecules. Physical Review Letters. 86: 472-5. PMID 11177858 DOI: 10.1103/PhysRevLett.86.472  1
2000 Mitas L, Grossman JC, Stich I, Tobik J. Silicon clusters of intermediate size: energetics, dynamics, and thermal effects Physical Review Letters. 84: 1479-82. PMID 11017547  1
2000 Grossman JC, Lester WA, Louie SG. Quantum monte carlo and density functional theory characterization of 2- cyclopentenone and 3-cyclopentenone formation from O(3P) + cyclopentadiene Journal of the American Chemical Society. 122: 705-711. DOI: 10.1021/ja983879f  1
1999 Grossman JC, Louie SG, Cohen ML. Solid C36: Crystal structures, formation, and effects of doping Physical Review B - Condensed Matter and Materials Physics. 60: R6941-R6944.  1
1999 Grossman JC, Lester WA, Louie SG. Cyclopentadiene stability: Quantum Monte Carlo, coupled cluster, and density functional theory determinations Molecular Physics. 96: 629-632.  1
1999 Collins PG, Grossman JC, Côté M, Ishigami M, Piskoti C, Louie SG, Cohen ML, Zettl A. Scanning tunneling spectroscopy of C36 Physical Review Letters. 82: 165-168.  1
1999 Grossman JC, Mizel A, Côté M, Cohen ML, Louie SG. Transition metals and their carbides and nitrides: Trends in electronic and structural properties Physical Review B - Condensed Matter and Materials Physics. 60: 6343-6347.  1
1998 Côté M, Grossman JC, Cohen ML, Louie SG. Electron-phonon interactions in solid C36 Physical Review Letters. 81: 697-700.  1
1998 Côté M, Grossman JC, Cohen ML, Louie SG. Theoretical study of a three-dimensional all-sp2 structure Physical Review B - Condensed Matter and Materials Physics. 58: 664-668.  1
1998 Grossman JC, Côté M, Louie SG, Cohen ML. Electronic and structural properties of molecular C 36 Chemical Physics Letters. 284: 344-349.  1
1997 Grossman JC, Mitas L. High accuracy molecular heats of formation and reaction barriers: Essential role of electron correlation Physical Review Letters. 79: 4353-4356.  1
1995 Grossman JC, Mitas L, Raghavachari K. Structure and stability of molecular carbon: Importance of electron correlation. Physical Review Letters. 75: 3870-3873. PMID 10059752 DOI: 10.1103/physrevlett.76.1006  1
1995 Grossman JC, Mitás L. Quantum Monte Carlo determination of electronic and structural properties of Sin clusters (n <= 20). Physical Review Letters. 74: 1323-1326. PMID 10058991  1
1995 Grossman JC, Mitás L. Family of low-energy elongated Sin (n <= 50) clusters. Physical Review. B, Condensed Matter. 52: 16735-16738. PMID 9981077  1
1995 Grossman JC, Mit L. Quantum Monte Carlo determination of electronic and structural properties of cin clusters (n 20) Physical Review Letters. 74: 1323-1326. DOI: 10.1103/PhysRevLett.74.1323  1
1995 Grossman JC, Mit L. Family of low-energy elongated Sin (n50) clusters Physical Review B. 52: 16735-16738. DOI: 10.1103/PhysRevB.52.16735  1
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