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Molecular Simulation Volume 35, 2009 - Issue 10-11: Frontiers of Molecular Simulation
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Original Articles

Nanoscale van der Waals interactions

Milton W. Cole Department of Physics, The Pennsylvania State University, University Park, PA, 16802, USA; Materials Research Institute, The Pennsylvania State University, University Park, PA, 16802, USAView further author information
,
Darrell Velegol Department of Chemical Engineering, The Pennsylvania State University, University Park, PA, 16802, USA; Materials Research Institute, The Pennsylvania State University, University Park, PA, 16802, USACorrespondence[email protected]
,
Hye-Young Kim Department of Chemistry and Physics, Southeastern Louisiana University, Hammond, LA, 70402, USA
&
Amand A. Lucas Laboratoire de physique du solide, Facultes Universitaires Notre-Dame de la Paix, 61 rue de Bruxelles, B5000, Namur, Belgium
Pages 849-866 | Received 15 Dec 2008, Accepted 24 Mar 2009, Published online: 14 Aug 2009

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A.P. Jones, J. Crain, F.S. Cipcigan, V.P. Sokhan, M. Modani & G.J. Martyna. (2013) Electronically coarse-grained molecular dynamics using quantum Drude oscillators. Molecular Physics 111:22-23, pages 3465-3477.
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Bo Li, Wang Gao & Qing Jiang. (2021) Electronic and geometric determinants of adsorption: fundamentals and applications. Journal of Physics: Energy 3:2, pages 022001.
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Martin Stöhr, Troy Van Voorhis & Alexandre Tkatchenko. (2019) Theory and practice of modeling van der Waals interactions in electronic-structure calculations. Chemical Society Reviews 48:15, pages 4118-4154.
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Kirill A. Emelyanenko, Alexandre M. Emelyanenko & Ludmila B. Boinovich. (2019) Van der Waals forces in free and wetting liquid films. Advances in Colloid and Interface Science 269, pages 357-369.
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F. S. Cipcigan, J. Crain, V. P. Sokhan & G. J. Martyna. (2019) Electronic coarse graining: Predictive atomistic modeling of condensed matter. Reviews of Modern Physics 91:2.
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Andrii Kleshchonok & Alexandre Tkatchenko. (2018) Tailoring van der Waals dispersion interactions with external electric charges. Nature Communications 9:1.
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Sh. Nasresfahani, R. Safaiee & M.H. Sheikhi. (2018) A dispersion-corrected DFT insight into the structural, electronic and CH4 adsorption properties of small tin-oxide clusters. Journal of Alloys and Compounds 757, pages 382-392.
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Prashanth S. Venkataram, Jan Hermann, Alexandre Tkatchenko & Alejandro W. Rodriguez. (2018) Phonon-Polariton Mediated Thermal Radiation and Heat Transfer among Molecules and Macroscopic Bodies: Nonlocal Electromagnetic Response at Mesoscopic Scales. Physical Review Letters 121:4.
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Prashanth S. Venkataram, Jan Hermann, Alexandre Tkatchenko & Alejandro W. Rodriguez. (2017) Unifying Microscopic and Continuum Treatments of van der Waals and Casimir Interactions. Physical Review Letters 118:26.
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Anthony J. Stone. 2017. Non-Covalent Interactions in Quantum Chemistry and Physics. Non-Covalent Interactions in Quantum Chemistry and Physics 3 26 .
L. M. Woods, D. A. R. Dalvit, A. Tkatchenko, P. Rodriguez-Lopez, A. W. Rodriguez & R. Podgornik. (2016) Materials perspective on Casimir and van der Waals interactions. Reviews of Modern Physics 88:4.
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Martin Stöhr, Georg S. Michelitsch, John C. Tully, Karsten Reuter & Reinhard J. Maurer. (2016) Communication: Charge-population based dispersion interactions for molecules and materials. The Journal of Chemical Physics 144:15.
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Anh D. Phan & Trinh X. Hoang. (2016) Cascaded plasmon resonant field enhancement in protein-conjugated gold nanoparticles: Role of protein shell. Journal of Science: Advanced Materials and Devices 1:1, pages 61-64.
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Reinhard J. Maurer, Victor G. Ruiz & Alexandre Tkatchenko. (2015) Many-body dispersion effects in the binding of adsorbates on metal surfaces. The Journal of Chemical Physics 143:10.
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Alexandre Tkatchenko. (2015) Current Understanding of Van der Waals Effects in Realistic Materials. Advanced Functional Materials 25:13, pages 2054-2061.
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Kirill A. Emelyanenko, Alexandre M. Emelyanenko & Ludmila Boinovich. (2015) Image-charge forces in thin interlayers due to surface charges in electrolyte. Physical Review E 91:3.
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Joshua W. Hollett. (2015) Non-pairwise additivity of the leading-order dispersion energy. The Journal of Chemical Physics 142:8.
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Anthony M. Reilly & Alexandre Tkatchenko. (2015) van der Waals dispersion interactions in molecular materials: beyond pairwise additivity. Chemical Science 6:6, pages 3289-3301.
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Hye-Young Kim. 2015. Applied Spectroscopy and the Science of Nanomaterials. Applied Spectroscopy and the Science of Nanomaterials 85 119 .
Robert A DiStasioJrJr, Vivekanand V Gobre & Alexandre Tkatchenko. (2014) Many-body van der Waals interactions in molecules and condensed matter. Journal of Physics: Condensed Matter 26:21, pages 213202.
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Anh D. Phan, Sheng Shen & Lilia M. Woods. (2013) Radiative Exchange between Graphitic Nanostructures: A Microscopic Perspective. The Journal of Physical Chemistry Letters 4:24, pages 4196-4200.
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Vivekanand V. Gobre & Alexandre Tkatchenko. (2013) Scaling laws for van der Waals interactions in nanostructured materials. Nature Communications 4:1.
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Anh D. Phan, Lilia M. Woods & The-Long Phan. (2013) Van der Waals interactions between graphitic nanowiggles. Journal of Applied Physics 114:4, pages 044308.
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Vassilios Yannopapas. (2013) Fluctuational-Electrodynamics Calculations of the van der Waals Potential in Nanoparticle Superlattices. The Journal of Physical Chemistry C 117:29, pages 15342-15346.
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A. Jones, F. Cipcigan, V. P. Sokhan, J. Crain & G. J. Martyna. (2013) Electronically Coarse-Grained Model for Water. Physical Review Letters 110:22.
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Andrew P. Jones, Jason Crain, Vlad P. Sokhan, Troy W. Whitfield & Glenn J. Martyna. (2013) Quantum Drude oscillator model of atoms and molecules: Many-body polarization and dispersion interactions for atomistic simulation. Physical Review B 87:14.
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Anthony M. Reilly & Alexandre Tkatchenko. (2013) Seamless and Accurate Modeling of Organic Molecular Materials. The Journal of Physical Chemistry Letters 4:6, pages 1028-1033.
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R. Esquivel-Sirvent & George C. Schatz. (2013) Van der Waals Torque Coupling between Slabs Composed of Planar Arrays of Nanoparticles. The Journal of Physical Chemistry C 117:10, pages 5492-5496.
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Alexandre Tkatchenko, Alberto Ambrosetti & Robert A. DiStasioJr.Jr.. (2013) Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem. The Journal of Chemical Physics 138:7.
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Amy Austin, George A. Petersson, Michael J. Frisch, Frank J. Dobek, Giovanni Scalmani & Kyle Throssell. (2012) A Density Functional with Spherical Atom Dispersion Terms. Journal of Chemical Theory and Computation 8:12, pages 4989-5007.
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Adrienn Ruzsinszky, John P. Perdew, Jianmin Tao, Gábor I. Csonka & J. M. Pitarke. (2012) Van der Waals Coefficients for Nanostructures: Fullerenes Defy Conventional Wisdom. Physical Review Letters 109:23.
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Milton W. Cole, Hye-Young Kim & Michael Liebrecht. (2012) Van der Waals interactions: Accuracy of pair potential approximations. The Journal of Chemical Physics 137:19.
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Alexandre Tkatchenko, Dario Alfè & Kwang S. Kim. (2012) First-Principles Modeling of Non-Covalent Interactions in Supramolecular Systems: The Role of Many-Body Effects. Journal of Chemical Theory and Computation 8:11, pages 4317-4322.
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Jiří Klimeš & Angelos Michaelides. (2012) Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory. The Journal of Chemical Physics 137:12.
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Robert A. DiStasioJr.Jr., O. Anatole von Lilienfeld & Alexandre Tkatchenko. (2012) Collective many-body van der Waals interactions in molecular systems. Proceedings of the National Academy of Sciences 109:37, pages 14791-14795.
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Alexandre Tkatchenko, Robert A. DiStasio, Roberto Car & Matthias Scheffler. (2012) Accurate and Efficient Method for Many-Body van der Waals Interactions. Physical Review Letters 108:23.
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R. Esquivel-Sirvent & George C. Schatz. (2012) Spatial Nonlocality in the Calculation of Hamaker Coefficients. The Journal of Physical Chemistry C 116:1, pages 420-424.
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Tim Gould & John F. Dobson. (2011) Efficient, long-range correlation from occupied wave functions only. Physical Review B 84:24.
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Bas W. Kwaadgras, Maarten Verdult, Marjolein Dijkstra & René van Roij. (2011) Polarizability and alignment of dielectric nanoparticles in an external electric field: Bowls, dumbbells, and cuboids. The Journal of Chemical Physics 135:13.
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Yaroslav V. Shtogun & Lilia M. Woods. (2010) Many-Body van der Waals Interactions between Graphitic Nanostructures. The Journal of Physical Chemistry Letters 1:9, pages 1356-1362.
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Hye-Young Kim & P. R. C. Kent. (2009) van der Waals forces: Accurate calculation and assessment of approximate methods in dielectric nanocolloids up to 16 nm. The Journal of Chemical Physics 131:14.
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