Concepedia

MD simulations of molybdenum disulphide (MoS2): Force-field parameterization and thermal transport behavior

Vikas Varshney, Soumya S. Patnaik, Chris Muratore, Ajit K. Roy, Andrey A. Voevodin, Barry L. Farmer

Computational Materials Science · 2010 · 171 citations · 32 references

DOI

Concepts

References

32

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

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Complex thermoelectric materials

G. Jeffrey Snyder, Eric S. Toberer · Nature Materials · 2008 · 11.1K citations

Unusually High Thermal Conductivity of Carbon Nanotubes

Savaş Berber, Young‐Kyun Kwon, David Tománek · Physical Review Letters · 2000 · 3.1K citations · Full text

, , +15

Structure and energetics of ligand binding to proteins: <i>Escherichia coli</i> dihydrofolate reductase‐trimethoprim, a drug‐receptor system

Pnina Dauber‐Osguthorpe, Victoria A. Roberts, David J. Osguthorpe et al. · Proteins Structure Function and Bioinformatics · 1988 · 2.1K citations

, , +16

Bulk nanostructured thermoelectric materials: current research and future prospects

Austin J. Minnich, M. S. Dresselhaus, Zhifeng Ren et al. · Energy & Environmental Science · 2009 · 2K citations

, , +17