Computation and Theory of Soft Materials
Publications
- A. Neophytou, F. W. Starr, D Chakrabarti and F. Sciortino, Proc. Natl. Acad. Sci. USA 121, e2406890121 (2024).
Hierarchy of topological transitions in a network liquid
- A. Neophytou and D Chakrabarti, Adv. Physics Res. 3, 2400007 (2024).
Engineering Rings in Network Materials
- L.-N. A. Williams, A. Neophytou, R. F. Garmann, D. Chakrabarti, V. N. Manoharan, Nanoscale 16, 3121 (2024).
Effect of coat-protein concentration on the self-assembly of bacteriophage MS2 capsids around RNA
- W. Flavell, A. Neophytou, A. Demetriadou, T. Albrecht and D. Chakrabarti, Adv. Mater. 35, 2211197 (2023).
Programmed Self-Assembly of Single Colloidal Gyroids for Chiral Photonic Crystals
Frontispiece
Press Release
- A. Neophytou, D. Chakrabarti and F. Sciortino, Nat. Phys. 18, 1248 (2022).
Topological nature of the liquid–liquid phase transition in tetrahedral liquids
News & Views
Press Release
MRS Bulletin
- A. Neophytou and D. Chakrabarti, Frontiers of Nanoscience 21, 111 (2022).
Self-assembly of colloidal open crystals: programmed to yield
- A. Neophytou, D. Chakrabarti and F. Sciortino, Proc. Natl. Acad. Sci. USA 118, e2109776118 (2021).
Facile self-assembly of colloidal diamond from tetrahedral patchy particles via ring selection
- M. Xiao, A. B. Stephenson, A. Neophytou, V. Hwang, D. Chakrabarti and V. N. Manoharan, Opt. Express 29, 21212 (2021).
Investigating the trade-off between color saturation and angle-independence in photonic glasses
- A. Neophytou, V. N. Manoharan and D. Chakrabarti, ACS Nano 15, 2668 (2021).
Self-Assembly of Patchy Colloidal Rods into Photonic Crystals Robust to Stacking Faults
- A. B. Rao, J. Shaw, A. Neophytou, D. Morphew, F. Sciortino, R. L. Johnston and D. Chakrabarti, ACS Nano 14, 5348 (2020).
Leveraging Hierarchical Self-Assembly Pathways for Realizing Colloidal Photonic Crystals
- Z. Ou, B. Luo, A. Neophytou, D. Chakrabarti and Q. Chen, Frontiers of Nanoscience 13, 61 (2019).
Synthesis and Self-Assembly of Janus and Triblock Patchy Particles
- D. Morphew and D. Chakrabarti, Nanoscale 10, 13875 (2018).
Programming hierarchical self-assembly of colloids: matching stability and accessibility
- D. Morphew, J. Shaw, C. Avins and D. Chakrabarti, ACS Nano 12, 2355 (2018).
Programming Hierarchical Self-Assembly of Patchy Particles into Colloidal Crystals via Colloidal Molecules
- D. Morphew and D. Chakrabarti, Curr. Opin. Colloid Interface Sci. 30, 70 (2017).
Clusters of Anisotropic Colloidal Particles: from Colloidal Molecules to Supracolloidal Structures
- D. Morphew and D. Chakrabarti, Soft Matter 12, 9633 (2016).
Supracolloidal reconfigurable polyhedra via hierarchical self-assembly
- J. Hernández-Rojas, D. Chakrabarti and D. J. Wales, Phys. Chem. Chem. Phys. 18, 26579 (2016).
Self-assembly of colloidal magnetic particles: energy landscapes and structural transitions
- D. Morphew and D. Chakrabarti, Nanoscale 7, 8343 (2015).
Hierarchical self-assembly of colloidal magnetic particles into reconfigurable spherical structures
- K. H. Sutherland-Cash, D. J. Wales, and D. Chakrabarti, Chem. Phys. Lett. 625, 1 (2015).
Free energy basin-hopping
- S. N. Fejer, D. Chakrabarti, H. Kusumaatmaja, and D. J. Wales, Nanoscale 6, 9448 (2014).
Design principles for Bernal spirals and helices with tunable pitch
- D. Chakrabarti, H. Kusumaatmaja, V. Ruehle, and D. J. Wales, Phys. Chem. Chem. Phys. 16, 5014 (2014).
Exploring Energy Landscapes: From Molecular to Mesoscopic Systems
Perspective article and featured on the
cover
- V. Ruehle, H. Kusumaatmaja, D. Chakrabarti, and D. J. Wales, J. Chem. Theory Comput. 9, 4026 (2013).
Exploring Energy Landscapes: Metrics, Pathways, and Normal-Mode Analysis for Rigid-Body Molecules
- S. W. Olesen, S. N. Fejer, D. Chakrabarti, and D. J. Wales, RSC Advances 3, 12905 (2013).
A left-handed building block self-assembles into right- and left-handed helices
- C. J. Forman, S. N. Fejer, D. Chakrabarti, P. D. Barker, and D. J. Wales, J. Phys. Chem. B 117, 7918 (2013).
Local frustration determines molecular and macroscopic helix structures
Featured on the cover.
- J. D. Farrell, C. Lines, J. J. Shepherd, D. Chakrabarti, M. A. Miller, and D. J. Wales, Soft Matter 9, 5407 (2013).
Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles
- J. W. R. Morgan, D. Chakrabarti, N. Dorsaz, and D. J. Wales, ACS Nano 7, 1246 (2013).
Designing a Bernal spiral from patchy colloids
- D. Chakrabarti, T. S. Totton, M. Kraft, and D. J. Wales, Phys. Chem. Chem. Phys.
13, 21362 (2011).
A survey of the potential energy surface for the (benzene)13 cluster
- D. Chakrabarti, S.N. Fejer, and D.J. Wales, in "Computational Nanoscience", edited by E. Bichoutskaia,
Royal Society of Chemistry, 58 (2011).
Self-Assembly of Nanoclusters: An Energy Landscape Perspective
- S.N. Fejer, D. Chakrabarti, and D.J. Wales, Soft Matter, 7, 3553 (2011).
Self-Assembly of Anisotropic Particles
- D. Chakrabarti and D.J. Wales, Soft Matter, 7, 2325 (2011).
Coupled linear and rotary motion in supramolecular helix handedness inversion
Identified as a
Soft Matter Hot Article.
- T. S. Totton, D. Chakrabarti, A. J. Misquitta, M. Sander, D. J. Wales, and M. Kraft, Combust.
Flame 157, 909 (2010).
Modelling the internal structure of nascent soot particles
- S. N. Fejer, D. Chakrabarti, and D. J. Wales, ACS Nano 4, 219 (2010).
Emergent complexity from simple anisotropic building blocks: Shells, tubes and spirals
- D. Chakrabarti, S. N. Fejer, and D. J. Wales, Proc. Natl. Acad. Sci. USA 106, 20164 (2009).
Rational design of helical architectures
Featured in "In This Issue" in PNAS.
- D. Chakrabarti and D. J. Wales, Phys. Chem. Chem. Phys. 11, 1970 (2009).
Simulations of rigid bodies in an angle-axis framework
- D. Chakrabarti and B. Bagchi, Adv. Chem. Phys. 141, 249 (2009).
Dynamics of thermotropic liquid crystals across the isotropic-nematic transition and their
similarity with glassy relaxation in supercooled liquids
- D. Chakrabarti and D. J. Wales, Phys. Rev. E 77, 051709 (2008).
Energy landscape of a model discotic liquid crystal
- D. Chakrabarti and D. J. Wales, Phys. Rev. Lett. 100, 127801 (2008).
Tilted and helical columnar phases for an axially symmetric discoidal system
- D. Chakrabarti and B. Bagchi, J. Phys. Chem. B (Feature Article) 111, 11646 (2007).
Glassiness of thermotropic liquid crystals across the isotropic-nematic transition
- B. Jana, D. Chakrabarti, and B. Bagchi, Phys. Rev. E 76, 011712 (2007).
Glassy orientational dynamics of rodlike molecules near the isotropic-nematic transition
- D. Chakrabarti, B. Jana, and B. Bagchi, Phys. Rev. E 75, 061703 (2007).
Orientational relaxation in a discotic liquid crystal
- D. Chakrabarti and B. Bagchi, J. Chem. Phys. 126, 204906 (2007).
Comparative study of temperature dependent orientational relaxation in a model thermotropic liquid crystal and in a model supercooled liquid
- S. E. Abraham, D. Chakrabarti, and B. Bagchi, J. Chem. Phys. 126, 074501 (2007).
Energy landscape view of non-ideality in binary mixtures
- D. Chakrabarti and B. Bagchi, Phys. Rev. E 74, 041704 (2006).
Anisotropic translational diffusion in the nematic phase: Dynamical signature of the coupling between orientational and translational order
in the energy landscape
- S. Chakrabarty, D. Chakrabarti, and B. Bagchi, Phys. Rev. E 73, 061706 (2006).
Power law relaxation and glassy dynamics in Lebwohl-Lasher model near the isotropic-nematic phase transition
- D. Chakrabarti and B. Bagchi, Phys. Rev. Lett. 96, 187801 (2006).
Decoupling phenomena in supercooled liquids: Signatures in the energy landscape
- D. Chakrabarti and B. Bagchi, Proc. Natl. Acad. Sci. USA 103, 7217 (2006).
Energy landscape view of phase transitions and slow dynamics in thermotropic liquid crystals
- P. P. Jose, D. Chakrabarti, and B. Bagchi, Phys. Rev. E 73, 031705 (2006).
Complete breakdown of the Debye model of rotational relaxation near the isotropic-nematic phase boundary: Effects of intermolecular
correlations in orientational dynamics
- D. Chakrabarti, P. P. Jose, S. Chakrabarty, and B. Bagchi, Phys. Rev. Lett. 95, 197801 (2005).
Universal power law in the orientational relaxation in thermotropic liquid crystals
- P. P. Jose, D. Chakrabarti, and B. Bagchi, Phys. Rev. E (Rapid Communication) 71, 030701 (2005).
Anomalous glassy relaxation near the isotropic-nematic phase transition
- D. Chakrabarti and B. Bagchi, J. Chem. Phys. 122, 014501 (2005).
Frequency dependent heat capacity within a kinetic model of glassy dynamics
- D. Chakrabarti and B. Bagchi, J. Chem. Phys. 120, 11678 (2004).
Nonmonotonic temperature dependence of heat capacity through the glass transition within a kinetic model
- D. Chakrabarti and B. Bagchi, J. Chem. Phys. 118, 7965 (2003).
Waiting time distribution and nonexponential relaxation in single molecule spectroscopic studies: Realization of entropic bottleneck in a
simple model
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