Gaurav Arya
Thomas Lord Department of Mechanical Engineering and Materials Science
Professor in the Thomas Lord Department of Mechanical Engineering and Materials Science
Research Interests
Molecular modeling, molecular simulations, statistical mechanics, coarse-graining, machine learning, polymer and colloidal physics, polymer-nanoparticle composites, chromatin biophysics, DNA nanotechnology, viral DNA packaging, single-molecule force spectroscopy, nanoscale transport
Bio
My research laboratory uses physics-based computational tools to provide fundamental, molecular-level understanding of a diverse range of biological and soft-material systems, with the aim of discovering new phenomena and developing new technologies. The methods we use or develop are largely based on statistical mechanics, molecular modeling and simulations, stochastic dynamics, coarse-graining, bioinformatics, machine learning, and polymer/colloidal physics. Our current research interests fall within four main themes: genome organization and regulation; polymer-nanoparticle composites; viral-DNA-packaging; and DNA nanotechnology. Please visit our website for more details about each of these research projects.
Education
- B.Tech. Indian Institute of Technology, Delhi (India), 1998
- Ph.D. University of Notre Dame, 2003
Trainings & Certifications
- Postdoc (2003 - 2005) Princeton University
- Assistant Research Scientist (2005 - 2007) New York University
Positions
- Professor in the Thomas Lord Department of Mechanical Engineering and Materials Science
- Professor of Biomedical Engineering
- Professor of Chemistry
Courses Taught
- MSEG 591: Independent Study
- ME 582: Applications in Data and Materials Science
- ME 560S: Materials Science and Engineering Seminar
- ME 555: Advanced Topics in Mechanical Engineering
- ME 490: Special Topics in Mechanical Engineering
- ME 419: Molecular Modeling of Soft Matter
- EGR 201L: Mechanics of Solids
- COMPSCI 583: Applications in Data and Materials Science
- BME 792: Continuation of Graduate Independent Study
- BME 791: Graduate Independent Study
- BME 494: Projects in Biomedical Engineering (GE)
- BME 493: Projects in Biomedical Engineering (GE)
Publications
- Roozbahani GM, Colosi PL, Oravecz A, Sorokina EM, Pfeifer W, Shokri S, et al. Piggybacking functionalized DNA nanostructures into live-cell nuclei. Science advances. 2024 Jul;10(27):eadn9423.
- Wang Y, Zhou Y, Yang Q, Basak R, Xie Y, Le D, et al. Self-assembly of nanocrystal checkerboard patterns via non-specific interactions. Nature communications. 2024 May;15(1):3913.
- DeLuca M, Duke D, Ye T, Poirier M, Ke Y, Castro C, et al. Mechanism of DNA origami folding elucidated by mesoscopic simulations. Nature communications. 2024 Apr;15(1):3015.
- Shi C, Yang D, Ma X, Pan L, Shao Y, Arya G, et al. A Programmable DNAzyme for the Sensitive Detection of Nucleic Acids. Angewandte Chemie (International ed in English). 2024 Mar;63(12):e202320179.
- DeLuca M, Sensale S, Lin P-A, Arya G. Prediction and Control in DNA Nanotechnology. ACS applied bio materials. 2024 Feb;7(2):626–45.
- Wang S, Lin P-A, DeLuca M, Zauscher S, Arya G, Ke Y. Controlling Silicification on DNA Origami with Polynucleotide Brushes. Journal of the American Chemical Society. 2024 Jan;146(1):358–67.
- Roozbahani G, Colosi P, Oravecz A, Sorokina E, Pfeifer W, Shokri S, et al. Piggybacking functionalized DNA nanostructures into live cell nuclei. bioRxiv. 2024.
- Tang Q, Sensale S, Bond C, Xing J, Qiao A, Hugelier S, et al. Interplay between stochastic enzyme activity and microtubule stability drives detyrosination enrichment on microtubule subsets. Current biology : CB. 2023 Dec;33(23):5169-5184.e8.
- Zhou Y, Bore SL, Tao AR, Paesani F, Arya G. Many-body potential for simulating the self-assembly of polymer-grafted nanoparticles in a polymer matrix. npj Computational Materials. 2023 Dec 1;9(1).
- Yang Y, Lu Q, Chen Y, DeLuca M, Arya G, Ke Y, et al. Spatiotemporal Control over Polynucleotide Brush Growth on DNA Origami Nanostructures. Angewandte Chemie (International ed in English). 2023 Nov;62(48):e202311727.
- Pfeifer WG, Huang C-M, Poirier MG, Arya G, Castro CE. Versatile computer-aided design of free-form DNA nanostructures and assemblies. Science advances. 2023 Jul;9(30):eadi0697.
- DeLuca M, Pfeifer WG, Randoing B, Huang C-M, Poirier MG, Castro CE, et al. Thermally reversible pattern formation in arrays of molecular rotors. Nanoscale. 2023 May;15(18):8356–65.
- Wang Y, Sensale S, Pedrozo M, Huang C-M, Poirier MG, Arya G, et al. Steric Communication between Dynamic Components on DNA Nanodevices. ACS nano. 2023 May;17(9):8271–80.
- Zhou Y, Bore S, Tao A, Paesani F, Arya G. Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix. American Chemical Society (ACS). 2023.
- Tang Q, Bond C, Sensale S, Qiao A, Arab A, Hugelier S, et al. Microtubule stability reinforces stochastic detyrosination to define functional microtubule subsets. In: MOLECULAR BIOLOGY OF THE CELL. 2023. p. 513–513.
- DeLuca M, Ye T, Poirier M, Ke Y, Castro C, Arya G. Mechanism of DNA origami folding elucidated by mesoscopic simulations. bioRxiv. 2023.
- Pfeifer W, Huang C-M, Poirier M, Arya G, Castro C. Versatile Computer Aided Design of Freeform DNA Nanostructures and Assemblies. bioRxiv. 2023.
- Zhou Y, Arya G. Discovery of two-dimensional binary nanoparticle superlattices using global Monte Carlo optimization. Nature communications. 2022 Dec;13(1):7976.
- Zhou C, Yang D, Sensale S, Sharma P, Wang D, Yu L, et al. A bistable and reconfigurable molecular system with encodable bonds. Science advances. 2022 Nov;8(46):eade3003.
- Barcus K, Lin P-A, Zhou Y, Arya G, Cohen SM. Influence of Polymer Characteristics on the Self-Assembly of Polymer-Grafted Metal-Organic Framework Particles. ACS nano. 2022 Nov;16(11):18168–77.
- Pajak J, Arya G. Molecular dynamics of DNA translocation by FtsK. Nucleic acids research. 2022 Aug;50(15):8459–70.
- Simões V, Cizubu BK, Harley L, Zhou Y, Pajak J, Snyder NA, et al. Redox-sensitive E2 Rad6 controls cellular response to oxidative stress via K63-linked ubiquitination of ribosomes. Cell Rep. 2022 May 24;39(8):110860.
- Zhou Y, Tang T-Y, Lee BH-J, Arya G. Tunable Orientation and Assembly of Polymer-Grafted Nanocubes at Fluid-Fluid Interfaces. ACS nano. 2022 May;16(5):7457–70.
- Sensale S, Sharma P, Arya G. Binding kinetics of harmonically confined random walkers. Physical review E. 2022 Apr;105(4–1):044136.
- Lee BH-J, Arya G. Assembly mechanism of surface-functionalized nanocubes. Nanoscale. 2022 Mar;14(10):3917–28.
- Tang Q, Sensale S, Bond C, Qiao A, Hugelier S, Arab A, et al. Detyrosination enrichment on microtubule subsets is established by the interplay between a stochastically-acting enzyme and microtubule stability. bioRxiv. 2022.
- Yang Y, Lu Q, Huang C-M, Qian H, Zhang Y, Deshpande S, et al. Programmable Site-Specific Functionalization of DNA Origami with Polynucleotide Brushes. Angewandte Chemie (International ed in English). 2021 Oct;60(43):23241–7.
- Lee BH-J, Kotov NA, Arya G. Reconfigurable Chirality of DNA-Bridged Nanorod Dimers. ACS nano. 2021 Aug;15(8):13547–58.
- Wang J, Ding J, Delaire O, Arya G. Atomistic Mechanisms Underlying Non-Arrhenius Ion Transport in Superionic Conductor AgCrSe2. ACS Applied Energy Materials. 2021 Jul 26;4(7):7157–67.
- Kumar V, Ko UH, Zhou Y, Hoque J, Arya G, Varghese S. Microengineered Materials with Self‐Healing Features for Soft Robotics. Advanced Intelligent Systems. 2021 Jul;3(7).
- Pajak J, Dill E, Reyes-Aldrete E, White MA, Kelch BA, Jardine PJ, et al. Atomistic basis of force generation, translocation, and coordination in a viral genome packaging motor. Nucleic acids research. 2021 Jun;49(11):6474–88.
- Woodson M, Pajak J, Mahler BP, Zhao W, Zhang W, Arya G, et al. A viral genome packaging motor transitions between cyclic and helical symmetry to translocate dsDNA. Science advances. 2021 May;7(19):eabc1955.
- Pajak J, Atz R, Hilbert BJ, Morais MC, Kelch BA, Jardine PJ, et al. Viral packaging ATPases utilize a glutamate switch to couple ATPase activity and DNA translocation. Proceedings of the National Academy of Sciences of the United States of America. 2021 Apr;118(17):e2024928118.
- Wang D, Yu L, Huang C-M, Arya G, Chang S, Ke Y. Programmable Transformations of DNA Origami Made of Small Modular Dynamic Units. Journal of the American Chemical Society. 2021 Feb;143(5):2256–63.
- Lee BH-J, Arya G. Analytical van der Waals interaction potential for faceted nanoparticles. Nanoscale horizons. 2020 Dec;5(12):1628–42.
- Meluzzi D, Arya G. Computational approaches for inferring 3D conformations of chromatin from chromosome conformation capture data. Methods (San Diego, Calif). 2020 Oct;181–182:24–34.
- Ding J, Niedziela JL, Bansal D, Wang J, He X, May AF, et al. Anharmonic lattice dynamics and superionic transition in AgCrSe 2. Proceedings of the National Academy of Sciences. 2020 Feb 25;117(8):3930–7.
- Deluca M, Shi Z, Castro CE, Arya G. Dynamic DNA nanotechnology: Toward functional nanoscale devices. Nanoscale Horizons. 2020 Feb 1;5(2):182–201.
- Wang J, Lee BH-J, Arya G. Kinetically assembled binary nanoparticle networks. Nanoscale. 2020 Feb;12(8):5091–102.
- Shi Z, Arya G. Free energy landscape of salt-actuated reconfigurable DNA nanodevices. Nucleic acids research. 2020 Jan;48(2):548–60.
- delToro D, Ortiz D, Ordyan M, Pajak J, Sippy J, Catala A, et al. Functional Dissection of a Viral DNA Packaging Machine's Walker B Motif. Journal of molecular biology. 2019 Nov;431(22):4455–74.
- Lee BH-J, Arya G. Orientational phase behavior of polymer-grafted nanocubes. Nanoscale. 2019 Aug;11(34):15939–57.
- Tang T-Y, Zhou Y, Arya G. Interfacial Assembly of Tunable Anisotropic Nanoparticle Architectures. ACS nano. 2019 Apr;13(4):4111–23.
- Song J-J, Bhattacharya R, Kim H, Chang J, Tang T-Y, Guo H, et al. One-Dimensional Anomalous Diffusion of Gold Nanoparticles in a Polymer Melt. Physical review letters. 2019 Mar;122(10):107802.
- Ortiz D, delToro D, Ordyan M, Pajak J, Sippy J, Catala A, et al. Evidence that a catalytic glutamate and an 'Arginine Toggle' act in concert to mediate ATP hydrolysis and mechanochemical coupling in a viral DNA packaging motor. Nucleic acids research. 2019 Feb;47(3):1404–15.
- Villanueva JT, Huang Q, Fischer NO, Arya G, Sirbuly DJ. Nanofiber-Based Total Internal Reflection Microscopy for Characterizing Colloidal Systems at the Microscale. Journal of Physical Chemistry C. 2018 Sep 27;122(38):22114–24.
- Marras AE, Shi Z, Lindell MG, Patton RA, Huang C-M, Zhou L, et al. Cation-Activated Avidity for Rapid Reconfiguration of DNA Nanodevices. ACS nano. 2018 Sep;12(9):9484–94.
- Hsu S-W, Rodarte AL, Som M, Arya G, Tao AR. Colloidal Plasmonic Nanocomposites: From Fabrication to Optical Function. Chemical reviews. 2018 Mar;118(6):3100–20.
- Kilic S, Felekyan S, Doroshenko O, Boichenko I, Dimura M, Vardanyan H, et al. Single-molecule FRET reveals multiscale chromatin dynamics modulated by HP1α. Nature communications. 2018 Jan;9(1):235.
- Shi Z, Castro CE, Arya G. Conformational Dynamics of Mechanically Compliant DNA Nanostructures from Coarse-Grained Molecular Dynamics Simulations. ACS nano. 2017 May;11(5):4617–30.
- Tang TY, Arya G. Anisotropic Three-Particle Interactions between Spherical Polymer-Grafted Nanoparticles in a Polymer Matrix. Macromolecules. 2017 Feb 14;50(3):1167–83.
- Root SE, Jackson NE, Savagatrup S, Arya G, Lipomi DJ. Modelling the morphology and thermomechanical behaviour of low-bandgap conjugated polymers and bulk heterojunction films. Energy & Environmental Science. 2017;10(2):558–69.
- Arya G. Models for recovering the energy landscape of conformational transitions from single-molecule pulling experiments. Molecular Simulation. 2016 Sep 1;42(13):1102–15.
- Hamed MY, Arya G. Zinc finger protein binding to DNA: an energy perspective using molecular dynamics simulation and free energy calculations on mutants of both zinc finger domains and their specific DNA bases. Journal of biomolecular structure & dynamics. 2016 May;34(5):919–34.
- Root SE, Savagatrup S, Pais CJ, Arya G, Lipomi DJ. Predicting the Mechanical Properties of Organic Semiconductors Using Coarse-Grained Molecular Dynamics Simulations. Macromolecules. 2016 Apr 26;49(7):2886–94.
- Nam GM, Arya G. Free-energy landscape of mono- and dinucleosomes: Enhanced rotational flexibility of interconnected nucleosomes. Physical Review E. 2016 Mar 10;93(3).
- Murthy CR, Gao B, Tao AR, Arya G. Dynamics of nanoparticle assembly from disjointed images of nanoparticle-polymer composites. Physical Review E. 2016 Feb 18;93(2).
- Zaretski AV, Root SE, Savchenko A, Molokanova E, Printz AD, Jibril L, et al. Metallic Nanoislands on Graphene as Highly Sensitive Transducers of Mechanical, Biological, and Optical Signals. Nano letters. 2016 Feb;16(2):1375–80.
- Meluzzi D, Arya G. Quantification of DNA cleavage specificity in Hi-C experiments. Nucleic acids research. 2016 Jan;44(1):e4.
- Takahashi T, Vo Ngo BC, Xiao L, Arya G, Heller MJ. Molecular mechanical properties of short-sequence peptide enzyme mimics. Journal of biomolecular structure & dynamics. 2016 Jan;34(3):463–74.
- Gurunatha KL, Marvi S, Arya G, Tao AR. Computationally Guided Assembly of Oriented Nanocubes by Modulating Grafted Polymer-Surface Interactions. Nano letters. 2015 Nov;15(11):7377–82.
- Singh VV, Kaufmann K, Orozco J, Li J, Galarnyk M, Arya G, et al. Micromotor-based on-off fluorescence detection of sarin and soman simulants. Chemical Communications. 2015 Jul 18;51(56):11190–3.
- Oswald J, Arya G, Cui Z, Brinson LC. Molecular Dynamics (MD) and Coarse Grain Simulation of High Strain-Rate Elastomeric Polymers (HSREP): Molecular and Coarse-Grained Methods for Microstructure-Property Relations in HSREP. In: Barsoum R, editor. Elastomeric Polymers with High Rate Sensitivity Applications in Blast, Shockwave, and Penetration Mechanics. William Andrew; 2015.
- Murthy CR, Gao B, Tao AR, Arya G. Automated quantitative image analysis of nanoparticle assembly. Nanoscale. 2015 Jun 7;7(21):9793–805.
- Hattemer GD, Arya G. Viscoelastic properties of polymer-grafted nanoparticle composites from molecular dynamics simulations. Macromolecules. 2015 Feb 24;48(4):1240–55.
- Meluzzi D, Arya G. Efficient estimation of contact probabilities from inter-bead distance distributions in simulated polymer chains. Journal of physics Condensed matter : an Institute of Physics journal. 2015 Feb;27(6):064120.
- Kabra H, Hwang Y, Lim HL, Kar M, Arya G, Varghese S. Biomimetic Material-Assisted Delivery of Human Embryonic Stem Cell Derivatives for Enhanced In Vivo Survival and Engraftment. ACS Biomater Sci Eng. 2015 Jan 12;1(1):7–12.
- Migliori AD, Smith DE, Arya G. Molecular interactions and residues involved in force generation in the T4 viral DNA packaging motor. Journal of molecular biology. 2014 Dec;426(24):4002–17.
- Nam G-M, Arya G. Torsional behavior of chromatin is modulated by rotational phasing of nucleosomes. Nucleic acids research. 2014 Sep;42(15):9691–9.
- Migliori AD, Keller N, Alam TI, Mahalingam M, Rao VB, Arya G, et al. Evidence for an electrostatic mechanism of force generation by the bacteriophage T4 DNA packaging motor. Nature communications. 2014 Jun;5:4173.
- Agrawal V, Arya G, Oswald J. Simultaneous iterative boltzmann inversion for coarse-graining of polyurea. Macromolecules. 2014 May 27;47(10):3378–89.
- Walker SI, Callahan BJ, Arya G, Barry JD, Bhattacharya T, Grigoryev S, et al. Evolutionary dynamics and information hierarchies in biological systems. Annals of the New York Academy of Sciences. 2013 Dec;1305:1–17.
- Meluzzi D, Arya G. Recovering ensembles of chromatin conformations from contact probabilities. Nucleic acids research. 2013 Jan;41(1):63–75.
- Dobrovolskaia IV, Arya G. Dynamics of Forced Nucleosome Unraveling and Role of Nonuniform Histone-DNA Interactions. Biophysical Journal. 2012 Sep;103(5):989–98.
- Iyer BVS, Arya G. Lattice animal model of chromosome organization. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 2012 Jul 12;86(1).
- Gao B, Arya G, Tao AR. Self-orienting nanocubes for the assembly of plasmonic nanojunctions. Nature nanotechnology. 2012 Jun;7(7):433–7.
- Arman B, Reddy AS, Arya G. Viscoelastic properties and shock response of coarse-grained models of multiblock versus diblock copolymers: Insights into dissipative properties of polyurea. Macromolecules. 2012 Apr 10;45(7):3247–55.
- Phadke A, Zhang C, Arman B, Hsu C-C, Mashelkar RA, Lele AK, et al. Rapid self-healing hydrogels. Proc Natl Acad Sci U S A. 2012 Mar 20;109(12):4383–8.
- Meluzzi D, Olson KE, Dolan GF, Arya G, Müller UF. Computational prediction of efficient splice sites for trans-splicing ribozymes. RNA (New York, NY). 2012 Mar;18(3):590–602.
- Ayala R, Zhang C, Yang D, Hwang Y, Aung A, Shroff SS, et al. Engineering the cell-material interface for controlling stem cell adhesion, migration, and differentiation. Biomaterials. 2011 May;32(15):3700–11.
- Iyer BV, Kenward M, Arya G. Hierarchies in eukaryotic genome organization: Insights from polymer theory and simulations. BMC biophysics. 2011 Apr;4:8.
- Yang D, Arya G. Structure and binding of the H4 histone tail and the effects of lysine 16 acetylation. Physical chemistry chemical physics : PCCP. 2011 Feb;13(7):2911–21.
- Maitra A, Arya G. Influence of pulling handles and device stiffness in single-molecule force spectroscopy. Physical chemistry chemical physics : PCCP. 2011 Feb;13(5):1836–42.
- Lim HL, Chuang JC, Tran T, Aung A, Arya G, Varghese S. Dynamic Electromechanical Hydrogel Matrices for Stem Cell Culture. Adv Funct Mater. 2011 Jan 7;21(1).
- Sangaj N, Kyriakakis P, Yang D, Chang C-W, Arya G, Varghese S. Heparin mimicking polymer promotes myogenic differentiation of muscle progenitor cells. Biomacromolecules. 2010 Dec 13;11(12):3294–300.
- Arya G. Chain stiffness and attachment-dependent attraction between polyelectrolyte-grafted colloids. The journal of physical chemistry B. 2010 Dec;114(48):15886–96.
- Dobrovolskaia IV, Kenward M, Arya G. Twist propagation in dinucleosome arrays. Biophysical journal. 2010 Nov;99(10):3355–64.
- Arya G, Maitra A, Grigoryev SA. A structural perspective on the where, how, why, and what of nucleosome positioning. Journal of biomolecular structure & dynamics. 2010 Jun;27(6):803–20.
- Maitra A, Arya G. Model accounting for the effects of pulling-device stiffness in the analyses of single-molecule force measurements. Physical Review Letters. 2010 Mar 12;104(10).
- Meluzzi D, Smith DE, Arya G. Biophysics of knotting. Annual review of biophysics. 2010 Jan;39:349–66.
- Arya G. Energetic and entropic forces governing the attraction between polyelectrolyte-grafted colloids. The journal of physical chemistry B. 2009 Dec;113(48):15760–70.
- Grigoryev SA, Arya G, Correll S, Woodcock CL, Schlick T. Evidence for heteromorphic chromatin fibers from analysis of nucleosome interactions. Proceedings of the National Academy of Sciences of the United States of America. 2009 Aug;106(32):13317–22.
- Arya G, Schlick T. A tale of tails: how histone tails mediate chromatin compaction in different salt and linker histone environments. The journal of physical chemistry A. 2009 Apr;113(16):4045–59.
- Hehmeyer OJ, Arya G, Panagiotopoulos AZ, Szleifer I. Monte Carlo simulation and molecular theory of tethered polyelectrolytes. The Journal of chemical physics. 2007 Jun;126(24):244902.
- Arya G, Schlick T. Efficient global biopolymer sampling with end-transfer configurational bias Monte Carlo. The Journal of chemical physics. 2007 Jan;126(4):044107.
- Arya G, Schlick T. Role of histone tails in chromatin folding revealed by a mesoscopic oligonucleosome model. Proceedings of the National Academy of Sciences of the United States of America. 2006 Oct;103(44):16236–41.
- Arya G, Zhang Q, Schlick T. Flexible histone tails in a new mesoscopic oligonucleosome model. Biophysical journal. 2006 Jul;91(1):133–50.
- Arya G, Panagiotopoulos AZ. Impact of branching on the phase behavior of polymers. Macromolecules. 2005 Dec 13;38(25):10596–604.
- Arya G, Rottler J, Panagiotopoulos AZ, Srolovitz DJ, Chaikin PM. Shear ordering in thin films of spherical block copolymer. Langmuir : the ACS journal of surfaces and colloids. 2005 Nov;21(24):11518–27.
- Arya G, Panagiotopoulos AZ. Log-rolling micelles in sheared amphiphilic thin films. Physical review letters. 2005 Oct;95(18):188301.
- Arya G, Panagiotopoulos AZ. Molecular modeling of shear-induced alignment of cylindrical micelles. Computer Physics Communications. 2005 Jul 1;169(1–3):262–6.
- Hehmeyer OJ, Arya G, Panagiotopoulos AZ. Phase transitions of confined lattice homopolymers. Journal of Physical Chemistry B. 2004 May 27;108(21):6809–15.
- Arya G, Panagiotopoulos AZ. Monte Carlo study of shear-induced alignment of cylindrical micelles in thin films. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 2004 Jan 1;70(3):9.
- Arya G, Chang HC, Maginn EJ. Knudsen diffusivity of a hard sphere in a rough slit pore. Physical Review Letters. 2003 Jul 11;91(2):026102/1-026102/4.
- Arya G, Chang HC, Maginn EJ. Molecular simulations of knudsen wall-slip: Effect of wall morphology. Molecular Simulation. 2003 Jan 1;29(10–11):697–709.
- Kioupis LI, Arya G, Maginn EJ. Pressure-enthalpy driven molecular dynamics for thermodynamic property calculation II: Applications. Fluid Phase Equilibria. 2002 Jul 15;200(1):93–110.
- Arya G, Chang HC, Maginn EJ. A critical comparison of equilibrium, non-equilibrium and boundary-driven molecular dynamics techniques for studying transport in microporous materials. Journal of Chemical Physics. 2001 Nov 1;115(17):8112–24.
- Arya G, Maginn EJ, Chang HC. Effect of the surface energy barrier on sorbate diffusion in A1PO
4 -5. Journal of Physical Chemistry B. 2001 Apr 12;105(14):2725–35. - Arya G, Maginn EJ, Chang HC. Efficient viscosity estimation from molecular dynamics simulation via momentum impulse relaxation. Journal of Chemical Physics. 2000 Aug 8;113(6):2079–87.
- Pajak J, Arya G, Smith D. Biophysics of DNA Packaging. In: Feiss M, editor. Encyclopedia of Virology, 4th Edition. Elsevier;
In The News
- Researchers Reveal the Inner Workings of a Viral DNA-Packaging Motor (Jun 4, 2021 | Pratt School of Engineering)
- Soft Robotic Dragonfly Signals Environmental Disruptions (Mar 25, 2021 | Pratt School of Engineering)
- Writing New Recipes for High-Performance Materials (Feb 26, 2021 | Pratt School of Engineering)
- Predicting Forces between Oddly Shaped Nanoparticles (Nov 19, 2020 | Pratt School of Engineering)
- Filling an AI and Materials Science Training Gap (Sep 21, 2020 | )
- DNA-Based Nanobots Earn Duke MEMS Its Fifth DMREF Award for Materials Science (Sep 9, 2019 | Pratt School of Engineering)
- Layered Liquids Arrange Nanoparticles into Useful Configurations (Mar 26, 2019 | Pratt School of Engineering)