Modeling of Thermal Transport in Pillared-Graphene Architectures von Varshney, Vikas, Patnaik, Soumya S, Roy, Ajit K, Froudakis, George, Farmer, Barry L

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A Molecular Dynamics Study of Epoxy-Based Networks: Cross-Linking Procedure and Prediction of Molecular and Material Properties von Varshney, Vikas, Patnaik, Soumya S, Roy, Ajit K, Farmer, Barry L

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Preferential Binding of Peptides to Graphene Edges and Planes von Kim, Sang N, Kuang, Zhifeng, Slocik, Joseph M, Jones, Sharon E, Cui, Yue, Farmer, Barry L, McAlpine, Michael C, Naik, Rajesh R

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Structure of a Peptide Adsorbed on Graphene and Graphite von Katoch, Jyoti, Kim, Sang Nyon, Kuang, Zhifeng, Farmer, Barry L, Naik, Rajesh R, Tatulian, Suren A, Ishigami, Masa

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Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules von Feng, Jie, Pandey, Ras B., Berry, Rajiv J., Farmer, Barry L., Naik, Rajesh R., Heinz, Hendrik

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Influence of the Shape of Nanostructured Metal Surfaces on Adsorption of Single Peptide Molecules in Aqueous Solution von Feng, Jie, Slocik, Joseph M., Sarikaya, Mehmet, Naik, Rajesh R., Farmer, Barry L., Heinz, Hendrik

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Thermal Rectification in Three-Dimensional Asymmetric Nanostructure von Lee, Jonghoon, Varshney, Vikas, Roy, Ajit K, Ferguson, John B, Farmer, Barry L

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Prediction of 3D elastic moduli and Poisson’s ratios of pillared graphene nanostructures von Sihn, Sangwook, Varshney, Vikas, Roy, Ajit K., Farmer, Barry L.

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MD simulations of molybdenum disulphide (MoS 2): Force-field parameterization and thermal transport behavior von Varshney, Vikas, Patnaik, Soumya S., Muratore, Chris, Roy, Ajit K., Voevodin, Andrey A., Farmer, Barry L.

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Modeling of Thermal Conductance at Transverse CNT−CNT Interfaces von Varshney, Vikas, Patnaik, Soumya S, Roy, Ajit K, Farmer, Barry L

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Polarization at metal–biomolecular interfaces in solution von Heinz, Hendrik, Jha, Kshitij C., Luettmer-Strathmann, Jutta, Farmer, Barry L., Naik, Rajesh R.

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Conformational response to solvent interaction and temperature of a protein (Histone h3.1) by a multi-grained monte carlo simulation von Pandey, Ras B, Farmer, Barry L

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Heat transport in epoxy networks: A molecular dynamics study von Varshney, Vikas, Patnaik, Soumya S., Roy, Ajit K., Farmer, Barry L.

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A hierarchical coarse-grained (all-atom-to-all-residue) computer simulation approach: self-assembly of peptides von Pandey, Ras B, Kuang, Zhifeng, Farmer, Barry L

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Effect of Graphene Oxidation Rate on Adsorption of Poly‐Thymine Single Stranded DNA von Kim, Ho Shin, Farmer, Barry L., Yingling, Yaroslava G.

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Random coil to globular thermal response of a protein (H3.1) with three knowledge-based coarse-grained potentials von Pandey, Ras B, Farmer, Barry L

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Enrichment of (6,5) Single Wall Carbon Nanotubes Using Genomic DNA von Kim, Sang N, Kuang, Zhifeng, Grote, James G, Farmer, Barry L, Naik, Rajesh R

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Variation in structure of a protein (H2AX) with knowledge-based interactions von Fritsche, Miriam, Pandey, Ras B, Farmer, Barry L, Heermann, Dieter W

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Conformational temperature-dependent behavior of a histone H2AX: a coarse-grained Monte Carlo approach via knowledge-based interaction potentials von Fritsche, Miriam, Pandey, Ras B, Farmer, Barry L, Heermann, Dieter W

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Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd−Au Bimetal Surfaces in Aqueous Solution von Heinz, Hendrik, Farmer, Barry L, Pandey, Ras B, Slocik, Joseph M, Patnaik, Soumya S, Pachter, Ruth, Naik, Rajesh R

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