Prediction of binary nanoparticle superlattices from soft potentials

Horst, Nathan; Travesset, Alex

doi:10.1063/1.4939238

Title: Prediction of binary nanoparticle superlattices from soft potentials

Abstract

Driven by the hypothesis that a sufficiently continuous short-ranged potential is able to account for shell flexibility and phonon modes and therefore provides a more realistic description of nanoparticle interactions than a hard sphere model, we compute the solid phase diagram of particles of different radii interacting with an inverse power law potential. From a pool of 24 candidate lattices, the free energy is optimized with respect to additional internal parameters and the p-exponent, determining the short-range properties of the potential, is varied between p = 12 and p = 6. The phase diagrams contain the phases found in ongoing self-assembly experiments, including DNA programmable self-assembly and nanoparticles with capping ligands assembled by evaporation from an organic solvent. Thus, the resulting phase diagrams can be mapped quantitatively to existing experiments as a function of only two parameters: Nanoparticle radius ratio (γ) and softness asymmetry.

Authors:

Horst, Nathan ^[1]; Travesset, Alex ^[2]

Iowa State Univ., Ames, IA (United States)
Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

Publication Date:: Thu Jan 07 00:00:00 EST 2016

Research Org.:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1235588

Alternate Identifier(s):: OSTI ID: 1234147

Report Number(s):: IS-J-8896
Journal ID: ISSN 0021-9606; JCPSA6

Grant/Contract Number:: AC02-07CH11358; BES DE-AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 144; Journal Issue: 1; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 77 NANOSCIENCE AND NANOTECHNOLOGY; free energy; DNA; nanoparticles; self assembly; Eigenvalues

Citation Formats


                    Horst, Nathan, and Travesset, Alex. Prediction of binary nanoparticle superlattices from soft potentials.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4939238.

Copy to clipboard


                    Horst, Nathan, & Travesset, Alex. Prediction of binary nanoparticle superlattices from soft potentials.  United States.  https://doi.org/10.1063/1.4939238

Copy to clipboard


                    Horst, Nathan, and Travesset, Alex. Thu .  
"Prediction of binary nanoparticle superlattices from soft potentials".  United States.  https://doi.org/10.1063/1.4939238.  https://www.osti.gov/servlets/purl/1235588.

Copy to clipboard


                    
@article{osti_1235588,

  title        = {Prediction of binary nanoparticle superlattices from soft potentials},

  author       = {Horst, Nathan and Travesset, Alex},

  abstractNote = {Driven by the hypothesis that a sufficiently continuous short-ranged potential is able to account for shell flexibility and phonon modes and therefore provides a more realistic description of nanoparticle interactions than a hard sphere model, we compute the solid phase diagram of particles of different radii interacting with an inverse power law potential. From a pool of 24 candidate lattices, the free energy is optimized with respect to additional internal parameters and the p-exponent, determining the short-range properties of the potential, is varied between p = 12 and p = 6. The phase diagrams contain the phases found in ongoing self-assembly experiments, including DNA programmable self-assembly and nanoparticles with capping ligands assembled by evaporation from an organic solvent. Thus, the resulting phase diagrams can be mapped quantitatively to existing experiments as a function of only two parameters: Nanoparticle radius ratio (γ) and softness asymmetry.},

  doi          = {10.1063/1.4939238},

  journal      = {Journal of Chemical Physics},

  number       = 1,

  volume       = 144,

  place        = {United States},

  year         = {Thu Jan 07 00:00:00 EST 2016},

  month        = {Thu Jan 07 00:00:00 EST 2016}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1063/1.4939238

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 34 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Crystal Structures of Molecular Gold Nanocrystal Arrays
journal, May 1999

Whetten, Robert L.; Shafigullin, Marat N.; Khoury, Joseph T.
Accounts of Chemical Research, Vol. 32, Issue 5
DOI: 10.1021/ar970239t

Structural diversity in binary nanoparticle superlattices
journal, January 2006

Shevchenko, Elena V.; Talapin, Dmitri V.; Kotov, Nicholas A.
Nature, Vol. 439, Issue 7072, p. 55-59
DOI: 10.1038/nature04414

Phase diagram of power law and Lennard-Jones systems: Crystal phases
journal, October 2014

Travesset, Alex
The Journal of Chemical Physics, Vol. 141, Issue 16
DOI: 10.1063/1.4898371

Efficient Method for Predicting Crystal Structures at Finite Temperature: Variable Box Shape Simulations
journal, October 2009

Filion, Laura; Marechal, Matthieu; van Oorschot, Bas
Physical Review Letters, Vol. 103, Issue 18
DOI: 10.1103/PhysRevLett.103.188302

A mechanistic view of binary colloidal superlattice formation using DNA-directed interactions
journal, January 2011

Scarlett, Raynaldo T.; Ung, Marie T.; Crocker, John C.
Soft Matter, Vol. 7, Issue 5
DOI: 10.1039/c0sm00370k

Understanding interactions between capped nanocrystals: Three-body and chain packing effects
journal, September 2009

Schapotschnikow, Philipp; Vlugt, Thijs J. H.
The Journal of Chemical Physics, Vol. 131, Issue 12
DOI: 10.1063/1.3227043

Dimensionality and Design of Isotropic Interactions that Stabilize Honeycomb, Square, Simple Cubic, and Diamond Lattices
journal, September 2014

Jain, Avni; Errington, Jeffrey R.; Truskett, Thomas M.
Physical Review X, Vol. 4, Issue 3
DOI: 10.1103/physrevx.4.031049

Modeling the Crystallization of Spherical Nucleic Acid Nanoparticle Conjugates with Molecular Dynamics Simulations
journal, April 2012

Li, Ting I. N. G.; Sknepnek, Rastko; Macfarlane, Robert J.
Nano Letters, Vol. 12, Issue 5
DOI: 10.1021/nl300679e

Soft‐Sphere Equation of State
journal, May 1970

Hoover, William G.; Ross, Marvin; Johnson, Keith W.
The Journal of Chemical Physics, Vol. 52, Issue 10
DOI: 10.1063/1.1672728

DNA-guided crystallization of colloidal nanoparticles
journal, January 2008

Nykypanchuk, Dmytro; Maye, Mathew M.; van der Lelie, Daniel
Nature, Vol. 451, Issue 7178, p. 549-552
DOI: 10.1038/nature06560

Morphological Diversity of DNA-Colloidal Self-Assembly
journal, September 2002

Tkachenko, Alexei V.
Physical Review Letters, Vol. 89, Issue 14
DOI: 10.1103/PhysRevLett.89.148303

Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies
journal, January 2004

Landman, Uzi; Luedtke, W. D.
Faraday Discussions, Vol. 125
DOI: 10.1039/b312640b

Stoichiometric control of DNA-grafted colloid self-assembly
journal, April 2015

Vo, Thi; Venkatasubramanian, Venkat; Kumar, Sanat
Proceedings of the National Academy of Sciences, Vol. 112, Issue 16
DOI: 10.1073/pnas.1420907112

Effective interactions between soft-repulsive colloids: Experiments, theory, and simulations
journal, March 2014

Mohanty, Priti S.; Paloli, Divya; Crassous, Jérôme J.
The Journal of Chemical Physics, Vol. 140, Issue 9
DOI: 10.1063/1.4866644

Materials design by DNA programmed self-assembly
journal, December 2011

Knorowski, C.; Travesset, A.
Current Opinion in Solid State and Materials Science, Vol. 15, Issue 6
DOI: 10.1016/j.cossms.2011.07.002

Structural Characterization of Self-Assembled Multifunctional Binary Nanoparticle Superlattices
journal, March 2006

Shevchenko, Elena V.; Talapin, Dmitri V.; Murray, Christopher B.
Journal of the American Chemical Society, Vol. 128, Issue 11
DOI: 10.1021/ja0564261

Prediction of binary hard-sphere crystal structures
journal, April 2009

Filion, Laura; Dijkstra, Marjolein
Physical Review E, Vol. 79, Issue 4
DOI: 10.1103/PhysRevE.79.046714

Densest binary sphere packings
journal, February 2012

Hopkins, Adam B.; Stillinger, Frank H.; Torquato, Salvatore
Physical Review E, Vol. 85, Issue 2
DOI: 10.1103/PhysRevE.85.021130

On the Phase Behavior of Binary Mixtures of Nanoparticles
journal, January 2013

Ben-Simon, Avi; Eshet, Hagai; Rabani, Eran
ACS Nano, Vol. 7, Issue 2
DOI: 10.1021/nn302712h

DNA-mediated nanoparticle crystallization into Wulff polyhedra
journal, November 2013

Auyeung, Evelyn; Li, Ting I. N. G.; Senesi, Andrew J.
Nature, Vol. 505, Issue 7481
DOI: 10.1038/nature12739

Superlattice formation in mixtures of hard-sphere colloids
journal, July 2000

Hunt, Neil; Jardine, Roger; Bartlett, Paul
Physical Review E, Vol. 62, Issue 1
DOI: 10.1103/PhysRevE.62.900

Efficient calculation of temperature dependence of solid-phase free energies by overlap sampling coupled with harmonically targeted perturbation
journal, October 2010

Tan, Tai Boon; Schultz, Andrew J.; Kofke, David A.
The Journal of Chemical Physics, Vol. 133, Issue 13
DOI: 10.1063/1.3483899

Polymorphism in AB ₁₃ Nanoparticle Superlattices: An Example of Semiconductor−Metal Metamaterials
journal, June 2005

Shevchenko, Elena V.; Talapin, Dmitri V.; O'Brien, Stephen
Journal of the American Chemical Society, Vol. 127, Issue 24
DOI: 10.1021/ja050510z

Coarse-grained model for gold nanocrystals with an organic capping layer
journal, December 2007

Schapotschnikow, Philipp; Pool, René; Vlugt, Thijs J. H.
Molecular Physics, Vol. 105, Issue 23-24
DOI: 10.1080/00268970701802432

Entropy-driven formation of a superlattice in a hard-sphere binary mixture
journal, September 1993

Eldridge, M. D.; Madden, P. A.; Frenkel, D.
Nature, Vol. 365, Issue 6441
DOI: 10.1038/365035a0

Interactions between microgel particles
journal, January 2009

Heyes, D. M.; Brańka, A. C.
Soft Matter, Vol. 5, Issue 14
DOI: 10.1039/b901894h

Thermodynamic Properties of the Fluid and Solid Phases for Inverse Power Potentials
journal, August 1971

Hoover, William G.; Gray, Steven G.; Johnson, Keith W.
The Journal of Chemical Physics, Vol. 55, Issue 3
DOI: 10.1063/1.1676196

Nanoparticle Superlattice Engineering with DNA
journal, October 2011

Macfarlane, R. J.; Lee, B.; Jones, M. R.
Science, Vol. 334, Issue 6053, p. 204-208
DOI: 10.1126/science.1210493

Driving diffusionless transformations in colloidal crystals using DNA handshaking
journal, January 2012

Casey, Marie T.; Scarlett, Raynaldo T.; Benjamin Rogers, W.
Nature Communications, Vol. 3, Issue 1
DOI: 10.1038/ncomms2206

Many-Body Effects in Nanocrystal Superlattices: Departure from Sphere Packing Explains Stability of Binary Phases
journal, March 2015

Boles, Michael A.; Talapin, Dmitri V.
Journal of the American Chemical Society, Vol. 137, Issue 13
DOI: 10.1021/jacs.5b00839

Designing DNA-grafted particles that self-assemble into desired crystalline structures using the genetic algorithm
journal, October 2013

Srinivasan, B.; Vo, T.; Zhang, Y.
Proceedings of the National Academy of Sciences, Vol. 110, Issue 46
DOI: 10.1073/pnas.1316533110

Dynamics and Statics of DNA-Programmable Nanoparticle Self-Assembly and Crystallization
journal, May 2011

Knorowski, C.; Burleigh, S.; Travesset, A.
Physical Review Letters, Vol. 106, Issue 21
DOI: 10.1103/PhysRevLett.106.215501

DNA-programmable nanoparticle crystallization
journal, January 2008

Park, Sung Yong; Lytton-Jean, Abigail K. R.; Lee, Byeongdu
Nature, Vol. 451, Issue 7178, p. 553-556
DOI: 10.1038/nature06508

Matplotlib: A 2D Graphics Environment
journal, January 2007

Hunter, John D.
Computing in Science & Engineering, Vol. 9, Issue 3
DOI: 10.1109/MCSE.2007.55

Molecular Simulations of Interacting Nanocrystals
journal, September 2008

Schapotschnikow, Philipp; Pool, René; Vlugt, Thijs J. H.
Nano Letters, Vol. 8, Issue 9
DOI: 10.1021/nl8017862

Close-packed structures of spheres of two different sizes II. The packing densities of likely arrangements
journal, December 1980

Murray, M. J.; Sanders, J. V.
Philosophical Magazine A, Vol. 42, Issue 6
DOI: 10.1080/01418618008239380

Binary nanoparticle superlattices of soft-particle systems
journal, July 2015

Travesset, Alex
Proceedings of the National Academy of Sciences, Vol. 112, Issue 31
DOI: 10.1073/pnas.1504677112

Prospects of Colloidal Nanocrystals for Electronic and Optoelectronic Applications
journal, January 2010

Talapin, Dmitri V.; Lee, Jong-Soo; Kovalenko, Maksym V.
Chemical Reviews, Vol. 110, Issue 1
DOI: 10.1021/cr900137k

The Densest Packing of AB Binary Hard-Sphere Homogeneous Compounds across all Size Ratios
journal, September 2008

Kummerfeld, Jonathan K.; Hudson, Toby S.; Harrowell, Peter
The Journal of Physical Chemistry B, Vol. 112, Issue 35
DOI: 10.1021/jp804953r

Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states
journal, January 2013

Jain, Avni; Errington, Jeffrey R.; Truskett, Thomas M.
Soft Matter, Vol. 9, Issue 14
DOI: 10.1039/c3sm27785b

Quantitative Prediction of the Phase Diagram of DNA-Functionalized Nanosized Colloids
journal, June 2012

Mladek, Bianca M.; Fornleitner, Julia; Martinez-Veracoechea, Francisco J.
Physical Review Letters, Vol. 108, Issue 26
DOI: 10.1103/PhysRevLett.108.268301

The NumPy Array: A Structure for Efficient Numerical Computation
journal, March 2011

van der Walt, Stéfan; Colbert, S. Chris; Varoquaux, Gaël
Computing in Science & Engineering, Vol. 13, Issue 2
DOI: 10.1109/MCSE.2011.37

Self-Assembling DNA Dendrimers: A Numerical Study
journal, May 2007

Largo, Julio; Starr, Francis W.; Sciortino, Francesco
Langmuir, Vol. 23, Issue 11
DOI: 10.1021/la063036z

Statistical Mechanics of Phase Diagrams. I. Inverse Power Potentials and the Close‐Packed to Body‐Centered Cubic Transition
journal, March 1972

Hoover, William G.; Young, David A.; Grover, Richard
The Journal of Chemical Physics, Vol. 56, Issue 5
DOI: 10.1063/1.1677521

Polymorphism in Self-Assembled AB ₆ Binary Nanocrystal Superlattices
journal, March 2011

Ye, Xingchen; Chen, Jun; Murray, Christopher B.
Journal of the American Chemical Society, Vol. 133, Issue 8
DOI: 10.1021/ja108708v

Works referencing / citing this record:

Capping Ligand Vortices as “Atomic Orbitals” in Nanocrystal Self-Assembly
journal, September 2017

Waltmann, Curt; Horst, Nathan; Travesset, Alex
ACS Nano, Vol. 11, Issue 11
DOI: 10.1021/acsnano.7b05694

Nanoparticle Superlattices as Quasi-Frank-Kasper Phases
journal, September 2017

Travesset, Alex
Physical Review Letters, Vol. 119, Issue 11
DOI: 10.1103/physrevlett.119.115701

Assembly by solvent evaporation: equilibrium structures and relaxation times
journal, January 2019

Waltmannn, Tommy; Travesset, Alex
Nanoscale, Vol. 11, Issue 40
DOI: 10.1039/c9nr05908c

Potential of mean force for two nanocrystals: Core geometry and size, hydrocarbon unsaturation, and universality with respect to the force field
journal, July 2018

Waltmann, Curt; Horst, Nathan; Travesset, Alex
The Journal of Chemical Physics, Vol. 149, Issue 3
DOI: 10.1063/1.5039495

Crystal engineering with DNA
journal, February 2019

Laramy, Christine R.; O’Brien, Matthew N.; Mirkin, Chad A.
Nature Reviews Materials, Vol. 4, Issue 3
DOI: 10.1038/s41578-019-0087-2

Similar Records in DOE PAGES and OSTI.GOV collections:

Binary nanoparticle superlattices of soft-particle systems

Journal Article Travesset, Alex - Proceedings of the National Academy of Sciences of the United States of America

The solid-phase diagram of binary systems consisting of particles of diameter σ_A=σ and σ_B=γσ (γ≤1) interacting with an inverse p = 12 power law is investigated as a paradigm of a soft potential. In addition to the diameter ratio γ that characterizes hard-sphere models, the phase diagram is a function of an additional parameter that controls the relative interaction strength between the different particle types. Phase diagrams are determined from extremes of thermodynamic functions by considering 15 candidate lattices. In general, it is shown that the phase diagram of a soft repulsive potential leads to the morphological diversity observed inmore »« less
Cited by 49
https://doi.org/10.1073/pnas.1504677112
Phase Diagram and Structure Map of Binary Nanoparticle Superlattices from a Lennard-Jones Model

Journal Article Ren, Shang ; Sun, Yang ; Zhang, Feng ; ... - ACS Nano

A first-principles prediction of the binary nanoparticle phase diagram assembled by solvent evaporation has eluded theoretical approaches. In this paper, we show that a binary system interacting through the Lennard-Jones (LJ) potential contains all experimental phases in which nanoparticles are effectively described as quasi hard spheres. We report a phase diagram consisting of 53 equilibrium phases, whose stability is quite insensitive to the microscopic details of the potentials, thus giving rise to some type of universality. Furthermore, we show that binary lattices may be understood as consisting of certain particle clusters, i.e., motifs, that provide a generalization of the fourmore »« less
Cited by 7
https://doi.org/10.1021/acsnano.0c00250

Full Text Available
Quasicrystalline order in self-assembled binary nanoparticle superlattices.

Journal Article Shevchenko, E V ; Talapin, D V ; Bodnarchuk, M I ; ... - Nature

The discovery of quasicrystals in 1984 changed our view of ordered solids as periodic structures and introduced new long-range-ordered phases lacking any translational symmetry. Quasicrystals permit symmetry operations forbidden in classical crystallography, for example five-, eight-, ten- and 12-fold rotations, yet have sharp diffraction peaks. Intermetallic compounds have been observed to form both metastable and energetically stabilized quasicrystals; quasicrystalline order has also been reported for the tantalum telluride phase with an approximate Ta{sub 1.6}Te composition. Later, quasicrystals were discovered in soft matter, namely supramolecular structures of organic dendrimers and tri-block copolymers, and micrometre-sized colloidal spheres have been arranged into quasicrystallinemore »« less
https://doi.org/10.1038/nature08439
Ordered Networks of Gold Nanoparticles Crosslinked by Dithiol-Oligomers

Journal Article Nayak, Srikanth ; Horst, Nathan ; Zhang, Honghu ; ... - Particle & Particle Systems Characterization

Abstract Controlled aggregation of nanoparticles into superlattices is a grand challenge in material science, where ligand based self‐assembly is the dominant route. Here, the self‐assembly of gold nanoparticles (AuNPs) that are crosslinked by water soluble oligo‐(ethylene glycol)‐dithiol (oEG‐dithiol) is reported and their 3D structure by small angle X‐ray scattering is determined. Surprisingly, a narrow region is found in the parameter space of dithiol linker‐length and nanoparticle size for which the crosslinked networks form short‐ranged FCC crystals. Using geometrical considerations and numerical simulations, the stability of the formed lattices is evaluated as a function of dithiol length and the number ofmore »« less
Cited by 4
https://doi.org/10.1002/ppsc.201800097

Full Text Available
Characterizing nanoparticle interactions: Linking models to experiments

Journal Article Ramakrishnan, S ; Zukoski, C F - Journal of Chemical Physics

Self-assembly of nanoparticles involves manipulating particle interactions such that attractions are on the order of the average thermal energy in the system. If the self-assembly is to result in an ordered packing, an understanding of their phase behavior is necessary. Here we test the ability of simple pair potentials to characterize the interactions and phase behavior of silico tungstic acid (STA), a 1.2 nm particle. The strength of interaction is controlled by dispersing STA in different background salt concentrations. The experimental variables used in characterizing the interactions are the osmotic compressibility (d{pi}/d{rho}), the second virial coefficient (B{sub 2}), relative solutionmore »« less
https://doi.org/10.1063/1.481901

Similar Records

Title: Prediction of binary nanoparticle superlattices from soft potentials

Abstract

Citation Formats

Crystal Structures of Molecular Gold Nanocrystal Arrays journal, May 1999

Structural diversity in binary nanoparticle superlattices journal, January 2006

Phase diagram of power law and Lennard-Jones systems: Crystal phases journal, October 2014

Efficient Method for Predicting Crystal Structures at Finite Temperature: Variable Box Shape Simulations journal, October 2009

A mechanistic view of binary colloidal superlattice formation using DNA-directed interactions journal, January 2011

Understanding interactions between capped nanocrystals: Three-body and chain packing effects journal, September 2009

Dimensionality and Design of Isotropic Interactions that Stabilize Honeycomb, Square, Simple Cubic, and Diamond Lattices journal, September 2014

Modeling the Crystallization of Spherical Nucleic Acid Nanoparticle Conjugates with Molecular Dynamics Simulations journal, April 2012

Soft‐Sphere Equation of State journal, May 1970

DNA-guided crystallization of colloidal nanoparticles journal, January 2008

Morphological Diversity of DNA-Colloidal Self-Assembly journal, September 2002

Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies journal, January 2004

Stoichiometric control of DNA-grafted colloid self-assembly journal, April 2015

Effective interactions between soft-repulsive colloids: Experiments, theory, and simulations journal, March 2014

Materials design by DNA programmed self-assembly journal, December 2011

Structural Characterization of Self-Assembled Multifunctional Binary Nanoparticle Superlattices journal, March 2006

Prediction of binary hard-sphere crystal structures journal, April 2009

Densest binary sphere packings journal, February 2012

On the Phase Behavior of Binary Mixtures of Nanoparticles journal, January 2013

DNA-mediated nanoparticle crystallization into Wulff polyhedra journal, November 2013

Superlattice formation in mixtures of hard-sphere colloids journal, July 2000

Efficient calculation of temperature dependence of solid-phase free energies by overlap sampling coupled with harmonically targeted perturbation journal, October 2010

Polymorphism in AB 13 Nanoparticle Superlattices: An Example of Semiconductor−Metal Metamaterials journal, June 2005

Coarse-grained model for gold nanocrystals with an organic capping layer journal, December 2007

Entropy-driven formation of a superlattice in a hard-sphere binary mixture journal, September 1993

Interactions between microgel particles journal, January 2009

Thermodynamic Properties of the Fluid and Solid Phases for Inverse Power Potentials journal, August 1971

Nanoparticle Superlattice Engineering with DNA journal, October 2011

Driving diffusionless transformations in colloidal crystals using DNA handshaking journal, January 2012

Many-Body Effects in Nanocrystal Superlattices: Departure from Sphere Packing Explains Stability of Binary Phases journal, March 2015

Designing DNA-grafted particles that self-assemble into desired crystalline structures using the genetic algorithm journal, October 2013

Dynamics and Statics of DNA-Programmable Nanoparticle Self-Assembly and Crystallization journal, May 2011

DNA-programmable nanoparticle crystallization journal, January 2008

Matplotlib: A 2D Graphics Environment journal, January 2007

Molecular Simulations of Interacting Nanocrystals journal, September 2008

Close-packed structures of spheres of two different sizes II. The packing densities of likely arrangements journal, December 1980

Binary nanoparticle superlattices of soft-particle systems journal, July 2015

Prospects of Colloidal Nanocrystals for Electronic and Optoelectronic Applications journal, January 2010

The Densest Packing of AB Binary Hard-Sphere Homogeneous Compounds across all Size Ratios journal, September 2008

Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states journal, January 2013

Quantitative Prediction of the Phase Diagram of DNA-Functionalized Nanosized Colloids journal, June 2012

The NumPy Array: A Structure for Efficient Numerical Computation journal, March 2011

Self-Assembling DNA Dendrimers: A Numerical Study journal, May 2007

Statistical Mechanics of Phase Diagrams. I. Inverse Power Potentials and the Close‐Packed to Body‐Centered Cubic Transition journal, March 1972

Polymorphism in Self-Assembled AB 6 Binary Nanocrystal Superlattices journal, March 2011

Capping Ligand Vortices as “Atomic Orbitals” in Nanocrystal Self-Assembly journal, September 2017

Nanoparticle Superlattices as Quasi-Frank-Kasper Phases journal, September 2017

Assembly by solvent evaporation: equilibrium structures and relaxation times journal, January 2019

Potential of mean force for two nanocrystals: Core geometry and size, hydrocarbon unsaturation, and universality with respect to the force field journal, July 2018

Crystal engineering with DNA journal, February 2019

Crystal Structures of Molecular Gold Nanocrystal Arrays
journal, May 1999

Structural diversity in binary nanoparticle superlattices
journal, January 2006

Phase diagram of power law and Lennard-Jones systems: Crystal phases
journal, October 2014

Efficient Method for Predicting Crystal Structures at Finite Temperature: Variable Box Shape Simulations
journal, October 2009

A mechanistic view of binary colloidal superlattice formation using DNA-directed interactions
journal, January 2011

Understanding interactions between capped nanocrystals: Three-body and chain packing effects
journal, September 2009

Dimensionality and Design of Isotropic Interactions that Stabilize Honeycomb, Square, Simple Cubic, and Diamond Lattices
journal, September 2014

Modeling the Crystallization of Spherical Nucleic Acid Nanoparticle Conjugates with Molecular Dynamics Simulations
journal, April 2012

Soft‐Sphere Equation of State
journal, May 1970

DNA-guided crystallization of colloidal nanoparticles
journal, January 2008

Morphological Diversity of DNA-Colloidal Self-Assembly
journal, September 2002

Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies
journal, January 2004

Stoichiometric control of DNA-grafted colloid self-assembly
journal, April 2015

Effective interactions between soft-repulsive colloids: Experiments, theory, and simulations
journal, March 2014

Materials design by DNA programmed self-assembly
journal, December 2011

Structural Characterization of Self-Assembled Multifunctional Binary Nanoparticle Superlattices
journal, March 2006

Prediction of binary hard-sphere crystal structures
journal, April 2009

Densest binary sphere packings
journal, February 2012

On the Phase Behavior of Binary Mixtures of Nanoparticles
journal, January 2013

DNA-mediated nanoparticle crystallization into Wulff polyhedra
journal, November 2013

Superlattice formation in mixtures of hard-sphere colloids
journal, July 2000

Efficient calculation of temperature dependence of solid-phase free energies by overlap sampling coupled with harmonically targeted perturbation
journal, October 2010

Polymorphism in AB ₁₃ Nanoparticle Superlattices: An Example of Semiconductor−Metal Metamaterials
journal, June 2005

Coarse-grained model for gold nanocrystals with an organic capping layer
journal, December 2007

Entropy-driven formation of a superlattice in a hard-sphere binary mixture
journal, September 1993

Interactions between microgel particles
journal, January 2009

Thermodynamic Properties of the Fluid and Solid Phases for Inverse Power Potentials
journal, August 1971

Nanoparticle Superlattice Engineering with DNA
journal, October 2011

Driving diffusionless transformations in colloidal crystals using DNA handshaking
journal, January 2012

Many-Body Effects in Nanocrystal Superlattices: Departure from Sphere Packing Explains Stability of Binary Phases
journal, March 2015

Designing DNA-grafted particles that self-assemble into desired crystalline structures using the genetic algorithm
journal, October 2013

Dynamics and Statics of DNA-Programmable Nanoparticle Self-Assembly and Crystallization
journal, May 2011

DNA-programmable nanoparticle crystallization
journal, January 2008

Matplotlib: A 2D Graphics Environment
journal, January 2007

Molecular Simulations of Interacting Nanocrystals
journal, September 2008

Close-packed structures of spheres of two different sizes II. The packing densities of likely arrangements
journal, December 1980

Binary nanoparticle superlattices of soft-particle systems
journal, July 2015

Prospects of Colloidal Nanocrystals for Electronic and Optoelectronic Applications
journal, January 2010

The Densest Packing of AB Binary Hard-Sphere Homogeneous Compounds across all Size Ratios
journal, September 2008

Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states
journal, January 2013

Quantitative Prediction of the Phase Diagram of DNA-Functionalized Nanosized Colloids
journal, June 2012

The NumPy Array: A Structure for Efficient Numerical Computation
journal, March 2011

Self-Assembling DNA Dendrimers: A Numerical Study
journal, May 2007

Statistical Mechanics of Phase Diagrams. I. Inverse Power Potentials and the Close‐Packed to Body‐Centered Cubic Transition
journal, March 1972

Polymorphism in Self-Assembled AB ₆ Binary Nanocrystal Superlattices
journal, March 2011

Capping Ligand Vortices as “Atomic Orbitals” in Nanocrystal Self-Assembly
journal, September 2017

Nanoparticle Superlattices as Quasi-Frank-Kasper Phases
journal, September 2017

Assembly by solvent evaporation: equilibrium structures and relaxation times
journal, January 2019

Potential of mean force for two nanocrystals: Core geometry and size, hydrocarbon unsaturation, and universality with respect to the force field
journal, July 2018

Crystal engineering with DNA
journal, February 2019