Nathan S. Abraham

Most-cited papers

1. Capturing Entropic Contributions to Temperature-Mediated Polymorphic Transformations Through Molecular Modeling

   E. Dybeck, Nathan S. Abraham, Natalie P. Schieber, M. Shirts

   201751 citations

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2. Implications of the Conformationally Flexible, Macrocyclic Structure of the First-Generation, Direct-Acting Anti-Viral Paritaprevir on Its Solid Form Complexity and Chameleonic Behavior.

   Ahmad Y. Sheikh, Alessandra Mattei, Rajni Miglani Bhardwaj, Richard S. Hong +10 more

   2021Journal of the American Chemical Society46 citations Open access

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3. The seventh blind test of crystal structure prediction: structure generation methods

   L. Hunnisett, J. Nyman, Nicholas Francia, Nathan S. Abraham +151 more

   2024Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials43 citations Open access

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4. The seventh blind test of crystal structure prediction: structure ranking methods

   L. Hunnisett, Nicholas Francia, J. Nyman, Nathan S. Abraham +143 more

   2024Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials32 citations Open access

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5. Protective Polymer Coatings for High-Throughput, High-Purity Cellular Isolation

   G. Romero, Jacob J. Lilly, Nathan S. Abraham, Hainsworth Y. Shin +3 more

   2015ACS Applied Materials and Interfaces23 citations Open access

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6. Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields

   Alessandra Mattei, Richard S. Hong, Hanno Dietrich, D. Firaha +7 more

   2022Journal of Chemical Theory and Computation20 citations Open access

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7. Thermal Gradient Approach for the Quasi-harmonic Approximation and Its Application to Improved Treatment of Anisotropic Expansion.

   Nathan S. Abraham, M. Shirts

   2017Journal of Chemical Theory and Computation19 citations Open access

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8. Adding Anisotropy to the Standard Quasi-Harmonic Approximation Still Fails in Several Ways to Capture Organic Crystal Thermodynamics

   Nathan S. Abraham, M. Shirts

   2019Crystal Growth & Design18 citations Open access

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9. Statistical mechanical approximations to more efficiently determine polymorph free energy differences for small organic molecules.

   Nathan S. Abraham, M. Shirts

   2020Journal of Chemical Theory and Computation16 citations Open access

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10. Magnetic Fields of Vortices in a Superconducting Thin Film

    W. Kossler, Nathan S. Abraham, C. Stronach, A. Greer

    20122 citations Open access

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11. An Improved Thermal Gradient Approach for the Quasi-Harmonic Approximation: Making Anisotropic Expansion Feasible

    Nathan S. Abraham, M. Shirts

    20171 citations

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12. A novel physics-based ensemble modelling approach that utilizes crystal packing to predict aqueous thermodynamic solubility

    R. Bhardwaj, Richard S. Hong, Nathan S. Abraham, Alessandra Mattei +1 more

    2021Acta Crystallographica Section A: Foundations and Advances0 citations

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13. Probing the force field sensitivity of entropy and enthalpy differences in organic polymorphs using classical potentials.

    Nathan S. Abraham, Marcus T. Hock, M. Shirts

    20200 citations

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