Refereed Journal Articles

  1. "Fundamental Microscopic Properties as Predictors of Grain Boundary Energy Trends",
    B. A. Jasperson, I. Nikiforov, A. Samanta, B. Runnels, H. T. Johnson and E. B. Tadmor,
    Acta Materialia, 286, 120722 (2025).
    pdf | doi | bibtex

  2. "Cross-scale covariance for material property prediction",
    B. A. Jasperson, I. Nikiforov, A. Samanta, F. Zhou, E. B. Tadmor, V. Lordi and V. V. Bulatov,
    npj Computational Materials, 11, 1 (2025).
    pdf | doi | bibtex

  3. "Elastic plate basis for the deformation and electron diffraction of twisted bilayer graphene on a substrate",
    M. Choi, S. H. Sung, R. Hovden and E. B. Tadmor,
    Physical Review B, 110, 024116 (2024).
    Note: PRB Editors' Suggestion
    pdf | doi | bibtex

  4. "Type Label Framework for Bonded Force Fields in LAMMPS",
    J. R. Gissinger, I. Nikiforov, Y. Afshar, B. Waters, M. Choi, D. S. Karls, A. Stukowski, W. Im, H. Heinz, A. Kohlmeyer and E. B. Tadmor,
    The Journal of Physical Chemistry B, 128, 3282–3297 (2024).
    pdf | doi | bibtex

  5. "Accurate Force Fields for Atomistic Simulations of Oxides, Hydroxides, and Organic Hybrid Materials up to the Micrometer Scale",
    K. Kanhaiya, M. Nathanson, P. in 't Veld, C. Zhu, I. Nikiforov, E. B. Tadmor, Y. K. Choi, W. Im, R. Mishra and H. Heinz,
    Journal of Chemical Theory and Computation, 19, 8293–8322 (2023).
    pdf | doi | bibtex

  6. "ColabFit Exchange: open-access datasets for data-driven interatomic potentials",
    J. A. Vita, E. G. Fuemmeler, A. Gupta, G. P. Wolfe, A. Q. Tao, R. S. Elliott, S. Martiniani and E. B. Tadmor,
    Journal of Chemical Physics, 159, 154802 (2023).
    pdf | doi | bibtex

  7. "Automated determination of grain boundary energy and potential-dependence using the OpenKIM framework",
    B. Waters, D. S. Karls, I. Nikiforov, R. S. Elliott, E. B. Tadmor and B. Runnels,
    Computational Materials Science, 220, 112057 (2023).
    pdf | doi | bibtex

  8. "Atomistically-informed continuum modeling and isogeometric analysis of 2D materials over holey substrates",
    M. Choi, M. Pasetto, Z. Shen, E. B. Tadmor and D. Kamensky,
    Journal of the Mechanics and Physics of Solids, 170, 105100 (2023).
    pdf | doi | bibtex

  9. "Torsional Periodic Lattice Distortions and Diffraction of Twisted 2D Materials",
    S. H. Sung, Y. M. Goh, H. Yoo, R. Engelke, H. Xie, K. Zhang, Z. Li, A. Ye, P. B. Deotare, E. B. Tadmor, A. J. Mannix, J. Park, L. Zhao, P. Kim and R. Hovden,
    Nature Communications, 13, 7826 (2022).
    pdf | doi | bibtex

  10. "Free Energy Calculation and Ghost Force Correction for Hot-QC",
    W. K. Kim, A. Kavalur, S. M. Whalen and E. B. Tadmor,
    International Journal for Numerical Methods in Engineering, 123, 4916–4934 (2022).
    pdf | doi | bibtex

  11. "Bayesian, frequentist, and information geometry approaches to parametric uncertainty quantification of classical empirical interatomic potentials",
    Y. Kurniawan, C. Petrie, K. Williams Jr., M. K. Transtrum, E. B. Tadmor, R. S. Elliott, D. S. Karls and M. Wen,
    Journal of Chemical Physics, 156, 214103 (2022).
    pdf | doi | bibtex

  12. "CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems",
    Y. K. Choi, N. R. Kern, S. Kim, K. Kanhaiya, Y. Afshar, S. H. Jeon, S. Jo, B. R. Brooks, J. Lee, E. B. Tadmor, H. Heinz and W. Im,
    ACS Journal of Chemical Theory and Computation, 18, 479–493 (2022).
    pdf | doi | bibtex

  13. "A rigorous universal model for the dynamic strength of materials across loading rates",
    Y. Feng, J. Fan and E. B. Tadmor,
    Journal of the Mechanics and Physics of Solids, 159, 104715 (2022).
    pdf | doi | bibtex

  14. "KLIFF: A framework to develop analytic and machine learning interatomic potentials",
    M. Wen, Y. Afshar, R. S. Elliott and E. B. Tadmor,
    Computer Physics Communications, 272, 108218 (2022).
    pdf | doi | bibtex

  15. "Holey Substrate-Directed Strain Patterning in Bilayer MoS2",
    Y. Zhang, M.-K. Choi, G. Haugstad, E. B. Tadmor and D. J. Flannigan,
    ACS Nano, 15, 20253–20260 (2021).
    pdf | doi | bibtex

  16. "Molecular Dynamics based Cohesive Law for Epoxy–Graphene Interfaces",
    J. Fan, A. Anastassiou, C. W. Macosko and E. B. Tadmor,
    Tribology Letters, 69, 55 (2021).
    pdf | doi | bibtex

  17. "Uncertainty quantification in molecular simulations with dropout neural network potentials",
    M. Wen and E. B. Tadmor,
    npj Computational Materials, 6, 124 (2020).
    pdf | doi | bibtex

  18. "The OpenKIM Processing Pipeline: A Cloud-Based Automatic Materials Property Computation Engine",
    D. S. Karls, M. Bierbaum, A. A. Alemi, R. S. Elliott, J. P. Sethna and E. B. Tadmor,
    Journal of Chemical Physics, 153, 064104 (2020).
    pdf | doi | bibtex

  19. "Noise Filtering in Atomistic Stress Calculations for Crystalline Materials",
    M. Shi, N. C. Admal and E. B. Tadmor,
    Journal of the Mechanics and Physics of Solids, 144, 104083 (2020).
    pdf | doi | bibtex

  20. "Molecular Dynamics Predictions of Thermomechanical Properties of an Epoxy Thermosetting Polymer",
    J. Fan, A. Anastassiou, C. W. Macosko and E. B. Tadmor,
    Polymer, 196, 122477 (2020).
    pdf | doi | bibtex

  21. "Roadmap on Multiscale Materials Modelling",
    Erik van der Giessen, Peter A. Schultz, Nicolas Bertin, Vasily V. Bulatov, Wei Cai, Gábor Csányi, Stephen M. Foiles, M. G. D. Geers, Carlos González, Markus Hütter, Woo Kyun Kim, Dennis M. Kochmann, Javier LLorca, Ann E. Mattsson, Jörg Rottler, Alexander Shluger, Ryan B. Sills, Ingo Steinbach, Alejandro Strachan and Ellad B. Tadmor,
    Modelling and Simulations in Materials Science and Engineering, 28, 043001 (2020).
    pdf | doi | bibtex

  22. "Hybrid neural network potential for multilayer graphene",
    M. Wen and E. B. Tadmor,
    Physical Review B, 100, 195419 (2019).
    pdf | doi | bibtex

  23. "Atomic and electronic reconstruction at the van der Waals interface in twisted bilayer graphene",
    H. Yoo, R. Engelke, S. Carr, S. Fang, K. Zhang, P. Cazeaux, S. H. Sung, R. Hovden, A. Tsen, T. Taniguchi, K. Watanabe, G.-C. Yi, M. Kim, M. Luskin, E. B. Tadmor, E. Kaxiras and P. Kim,
    Nature Materials, 18, 448–453 (2019).
    pdf | doi | bibtex

  24. "Rescaling cohesive element properties for mesh independent fracture simulations",
    J. Fan and E. B. Tadmor,
    Engineering Fracture Mechanics, 213, 89–99 (2019).
    pdf | doi | bibtex

  25. "Dihedral-angle-corrected registry-dependent interlayer potential for multilayer graphene structures",
    M. Wen, S. Carr, S. Fang, E. Kaxiras and E. B. Tadmor,
    Physical Review B, 98, 235404 (2018).
    pdf | doi | bibtex

  26. "Structural and electron diffraction scaling of twisted graphene bilayers",
    K. Zhang and E. B. Tadmor,
    Journal of the Mechanics and Physics of Solids, 112, 225–238 (2018).
    pdf | doi | bibtex

  27. "A force-matching Stillinger-Weber potential for MoS2: Parameterization and Fisher information theory based sensitivity analysis",
    M. Wen, S. N. Shirodkar, P. Plecháč, E. Kaxiras, R. S. Elliott and E. B. Tadmor,
    Journal of Applied Physics, 122, 244301 (2017).
    pdf | doi | bibtex

  28. "Review Article: Case Studies in Future Trends of Computational and Experimental Nanomechanics",
    W. W. Gerberich, E. B. Tadmor, J. Kysar, J. A. Zimmerman, A. M. Minor, I. Szlufarska, J. Amodeo, B. Devincre, E. Hintsala and R. Ballarini,
    Journal of Vacuum Science & Technology A, 35, 060801 (2017).
    pdf | doi | bibtex

  29. "Benchmarking, validation and reproducibility of concurrent multiscale methods are still needed",
    E. B. Tadmor and R. E. Miller,
    Modelling and Simulations in Materials Science and Engineering, 25, 071001 (2017).
    pdf | doi | bibtex

  30. "Accelerated Quasicontinuum: A practical perspective on hyper-QC with application to nanoindentation",
    W. K. Kim and E. B. Tadmor,
    Philosophical Magazine, 97, 2284–2316 (2017).
    pdf | doi | bibtex

  31. "Analysis of rippling in incommensurate one-dimensional coupled chains",
    P. Cazeaux, M. Luskin and E. B. Tadmor,
    Multiscale Modeling and Simulation, 15, 56–73 (2017).
    pdf | doi | bibtex

  32. "A KIM-compliant \emphPotfit for fitting sloppy interatomic potentials: Application to the EDIP model for silicon",
    M. Wen, J. Li, P. Brommer, R. S. Elliott, J. P. Sethna and E. B. Tadmor,
    Modelling and Simulations in Materials Science and Engineering, 25, 014001 (2017).
    pdf | doi | bibtex

  33. "Energy and moiré patterns in 2D bilayers in translation and rotation: A study using an efficient discrete–continuum interlayer potential",
    K. Zhang and E. B. Tadmor,
    Extreme Mechanics Letters, 14, 16–22 (2017).
    pdf | doi | bibtex

  34. "Simulating the superheating of nanomaterials due to latent heat release in surface reconstruction",
    A. Singh and E. B. Tadmor,
    International Journal of Heat and Mass Transfer, 107, 792–804 (2017).
    pdf | doi | bibtex

  35. "Mechanical Actuation of Graphene Sheets via Optically Induced Forces",
    M. M. Salary, S. Inampundi, K. Zhang, E. B. Tadmor and H. Mosallaei,
    Physical Review B, 94, 235403 (2016).
    pdf | doi | bibtex

  36. "The non-uniqueness of the atomistic stress tensor and its relationship to the generalized Beltrami representation",
    N. C. Admal and E. B. Tadmor,
    Journal of the Mechanics and Physics of Solids, 93, 72–92 (2016).
    pdf | doi | bibtex

  37. "Molecular dynamics at constant Cauchy stress",
    R. E. Miller, E. B. Tadmor, J. S. Gibson, N. Bernstein and F. Pavia,
    Journal of Chemical Physics, 144, 184107 (2016).
    pdf | doi | bibtex

  38. "Material fields in atomistics as pull-backs of spatial distributions",
    N. C. Admal and E. B. Tadmor,
    Journal of the Mechanics and Physics of Solids, 89, 59–76 (2016).
    pdf | doi | bibtex

  39. "Thermal parameter identification for non-Fourier heat transfer from molecular dynamics",
    A. Singh and E. B. Tadmor,
    Journal of Computational Physics, 299, 667–686 (2015).
    pdf | doi | bibtex

  40. "Interpolation Effects in Tabulated Interatomic Potentials",
    M. Wen, S. M. Whalen, R. S. Elliott and E. B. Tadmor,
    Modelling and Simulations in Materials Science and Engineering, 23, 074008 (2015).
    pdf | doi | bibtex

  41. "Removing artificial Kapitza effects from bulk thermal conductivity calculations in direct molecular dynamics",
    A. Singh and E. B. Tadmor,
    Journal of Applied Physics, 117, 185101 (2015).
    pdf | doi | bibtex

  42. "A Local Quasicontinuum Method for 3D Multilattice Crystalline Materials: Application to Shape-Memory Alloys",
    V. Sorkin, R. S. Elliott and E. B. Tadmor,
    Modelling and Simulations in Materials Science and Engineering, 22, 055001 (2014).
    pdf | doi | bibtex

  43. "Mapping the Stochastic Response of Nanostructures",
    S. Pattamatta, R. S. Elliott and E. B. Tadmor,
    Proceedings of the National Academy of Sciences of the USA, 111, E1678–E1686 (2014).
    pdf | doi | bibtex

  44. "Entropically Stabilized Dislocations",
    W. K. Kim and E. B. Tadmor,
    Physical Review Letters, 112, 105501 (2014).
    pdf | doi | bibtex

  45. "Hyper-QC: An Accelerated Finite-Temperature Quasicontinuum Method using Hyperdynamics",
    W. K. Kim, M. Luskin, D. Perez, A. F. Voter and E. B. Tadmor,
    Journal of the Mechanics and Physics of Solids, 63, 94–112 (2014).
    pdf | doi | bibtex

  46. "NSF Cyberinfrastructures: A New Paradigm for Advancing Materials Simulation",
    E. B. Tadmor, R. S. Elliott, S. R. Phillpot and S. B. Sinnott,
    Current Opinion in Solid State and Materials Science, 17, 298–304 (2013).
    pdf | doi | bibtex

  47. "Finite-Temperature Quasi-Continuum",
    E. B. Tadmor, F. Legoll, W. K. Kim, L. M. Dupuy and R. E. Miller,
    Applied Mechanics Reviews, 65, 010803 (2013).
    pdf | doi | bibtex

  48. "Objective Quasicontinuum Approach for Rod Problems",
    Y. Hakobyan, E. B. Tadmor and R. D. James,
    Physical Review B, 86, 245435 (2012).
    pdf | doi | bibtex

  49. "An Analytical Self-consistent Solution for the Free Energy of a 1-D Chain of Atoms Including Anharmonic Effects",
    W. K. Kim and E. B. Tadmor,
    Journal of Statistical Physics, 148, 951–971 (2012).
    pdf | doi | bibtex

  50. "The Potential of Atomistic Simulations and the Knowledgebase of Interatomic Models",
    E. B. Tadmor, R. S. Elliott, J. P. Sethna, R. E. Miller and C. A. Becker,
    JOM, 63, 17 (2011).
    pdf | doi | bibtex

  51. "Stress and Heat Flux for Arbitrary Multi-Body Potentials: A Unified Framework",
    N. C. Admal and E. B. Tadmor,
    Journal of Chemical Physics, 134, 184106 (2011).
    pdf | doi | bibtex

  52. "A Unified Interpretation of Stress in Molecular Systems",
    N. C. Admal and E. B. Tadmor,
    Journal of Elasticity, 100, 63–143 (2010).
    pdf | doi | bibtex

  53. "Surface Effects in Non-Uniform Nanobeams: Continuum vs. Atomistic Modeling",
    B. Bar On, E. Altus and E. B. Tadmor,
    International Journal of Solids and Structures, 47, 1243–1252 (2010).
    pdf | doi | bibtex

  54. "A Unified Framework and Performance Benchmark of Fourteen Multiscale Atomistic/Continuum Coupling Methods",
    R. E. Miller and E. B. Tadmor,
    Modelling and Simulations in Materials Science and Engineering, 17, 053001 (2009).
    pdf | doi | bibtex

  55. "Efficient Algorithms for Discrete Lattice Calculations",
    M. Arndt, V. Sorkin and E. B. Tadmor,
    Journal of Computational Physics, 228, 4858–4880 (2009).
    pdf | doi | bibtex

  56. "Grain Orientation Mapping of Polycrystalline Organic Semiconductors Films by Transverse Shear Microscopy",
    V. Kalihari, E. B. Tadmor, G. Hegland and C. D. Frisbie,
    Advanced Materials, 20, 1–7 (2008).
    pdf | doi | bibtex

  57. "Hybrid Continuum Mechanics and Atomistic Methods for Simulating Materials Deformation and Failure",
    R. E. Miller and E. B. Tadmor,
    MRS Bulletin, 32, 920–926 (2007).
    pdf | doi | bibtex

  58. "A Multilatice Quasicontinuum for Phase Transforming Materials: Cascading Cauchy-Born Kinematics",
    M. Dobson, R. S. Elliott, M. Luskin and E. B. Tadmor,
    Journal of Computer-Aided Materials Design, 14, 219–237 (2007).
    pdf | doi | bibtex

  59. "Twin nucleation Mechanisms at a Crack Tip in an HCP Material: Molecular Simulation",
    L. Kucherov and E. B. Tadmor,
    Acta Materialia, 55, 2065–2074 (2007).
    pdf | doi | bibtex

  60. "Umbrella Spherical Integration: A Stable Meshless Method for Nonlinear solids",
    L. Kucherov, E. B. Tadmor and R. E. Miller,
    International Journal for Numerical Methods in Engineering, 69, 2807–2847 (2007).
    pdf | doi | bibtex

  61. "From Electrons to Finite Elements: A Concurrent Multiscale Approach for Metals",
    G. Lu, E. B. Tadmor and E. Kaxiras,
    Physical Revew B, 73, 024108 (2006).
    pdf | doi | bibtex

  62. "Finite-Temperature Quasicontinuum: Molecular Dynamics without all the Atoms",
    L. M. Dupuy, E. B. Tadmor, R. E. Miller and R. Phillips,
    Physical Review Letters, 95, 060202 (2005).
    pdf | doi | bibtex

    See also review in Nature of this work under the heading "Cracked It".

  63. "A First-Principles Measure for the Twinnability of FCC Metals",
    E. B. Tadmor and N. Bernstein,
    Journal of the Mechanics and Physics of Solids, 52, 2507–2519 (2004).
    pdf | doi | bibtex

  64. "Tight-binding Calculations of Stacking Energies and Twinnability in FCC Metals",
    N. Bernstein and E. B. Tadmor,
    Physical Review B, 69, 094116 (2004).
    pdf | doi | bibtex

  65. "Electromechanical Coupling Correction for Piezoelectric Layered Beams",
    E. B. Tadmor and G. Kósa,
    Journal of Microelectromechanical Systems, 12, 899–906 (2003).
    pdf | doi | bibtex

  66. "A Peierls Criterion for the Onset of Deformation Twinning at Crack Tips",
    E. B. Tadmor and S. Hai,
    Journal of the Mechanics and Physics of Solids, 51, 765–793 (2003).
    pdf | doi | bibtex

  67. "Deformation Twinning at Aluminum Crack Tips",
    S. Hai and E. B. Tadmor,
    Acta Materialia, 51, 117–131 (2003).
    pdf | doi | bibtex

  68. "The Quasicontinuum Method: Overview, Applications and Current Directions",
    R. E. Miller and E. B. Tadmor,
    Journal of Computer-Aided Materials Design, 9, 203–239 (2002).
    pdf | doi | bibtex

  69. "Polarization Switching in PbTiO3: An ab initio Finite Element Simulation",
    E. B. Tadmor, U. V. Waghmare, G. S. Smith and E. Kaxiras,
    Acta Materialia, 50, 2989–3002 (2002).
    pdf | doi | bibtex

  70. "Multiscale Simulations of Silicon Nanoindentation",
    G. S. Smith, E. B. Tadmor, N. Bernstein and E. Kaxiras,
    Acta Materialia, 49, 4089–4101 (2001).
    pdf | doi | bibtex

  71. "Multiscale Simulation of Loading and Electrical Resistance in Silicon Nanoindentation",
    G. S. Smith, E. B. Tadmor and E. Kaxiras,
    Physical Review Letters, 84, 1260–1263 (2000).
    pdf | doi | bibtex

  72. "Nucleation of Dislocations Beneath a Plane Strain Indenter",
    Vivek Shenoy, R. Phillips and E. B. Tadmor,
    Journal of the Mechanics and Physics of Solids, 48, 649–673 (2000).
    pdf | doi | bibtex

  73. "Hierarchical Modeling in the Mechanics of Materials",
    E. B. Tadmor, R. Phillips and M. Ortiz,
    International Journal of Solids and Structures, 37, 379-389 (2000).
    Note: Special Volume: Report on "Research Trends in Solid Mechanics", U. S. National Committee on Theoretical and Applied Mechanics.
    pdf | doi | bibtex

  74. "Hierarchical Models of Plasticity: Dislocation Nucleation and Interaction",
    R. Phillips, D. Rodney, Vivek Shenoy, E. B. Tadmor and M. Ortiz,
    Modelling and Simulations in Materials Science and Engineering, 7, 769–780 (1999).
    pdf | doi | bibtex

  75. "Nanoindentation and Incipient Plasticity",
    E. B. Tadmor, R. Miller, R. Phillips and M. Ortiz,
    Journal of Materials Research, 14, 2233–2250 (1999).
    pdf | doi | bibtex

  76. "An Adaptive Finite Element Approach to Atomic-Scale Mechanics: The Quasicontinuum Method",
    V. B. Shenoy, R. Miller, E. B. Tadmor, D. Rodney, R. Phillips and M. Ortiz,
    Journal of the Mechanics and Physics of Solids, 47, 611–642 (1999).
    pdf | doi | bibtex

  77. "Mixed Finite Element and Atomistic Formulation for Complex Crystals",
    E. B. Tadmor, G. S. Smith, N. Bernstein and E. Kaxiras,
    Physical Revew B, 59, 235–245 (1999).
    pdf | doi | bibtex

  78. "Quasicontinuum Models of Fracture and Plasticity",
    R. Miller, M. Ortiz, R. Phillips, V. B. Shenoy and E. B. Tadmor,
    Engineering Fracture Mechanics, 61, 427–444 (1998).
    pdf | doi | bibtex

  79. "Quasicontinuum Simulation of Fracture at the Atomic Scale",
    R. Miller, E. B. Tadmor, R. Phillips and M. Ortiz,
    Modelling and Simulation in Materials Science and Engineering, 6, 607–638 (1998).
    pdf | doi | bibtex

  80. "Quasicontinuum Models of Interfacial Structure and Deformation",
    V. B. Shenoy, R. Miller, E. B. Tadmor, R. Phillips and M. Ortiz,
    Physical Review Letters, 80, 742–745 (1998).
    pdf | doi | bibtex

  81. "Mixed Atomistic and Continuum Models of Deformation in Solids",
    E. B. Tadmor, R. Phillips and M. Ortiz,
    Langmuir, 12, 4529–4534 (1996).
    pdf | doi | bibtex

  82. "Quasicontinuum Analysis of Defects in Solids",
    E. B. Tadmor, M. Ortiz and R. Phillips,
    Philosophical Magazine A, 73, 1529–1563 (1996).
    pdf | doi | bibtex

  83. "Plastic Deformation and Burst of Pressurized Multilayered Cylinders",
    E. B. Tadmor and D. Durban,
    ASME Journal of Pressure Vessel Technology, 117, 85–91 (1995).
    pdf | doi | bibtex