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Research

Professor Jamshed Anwar

Professor, Chair in Computational Chemistry & Head of Chemical Theory and Computation Research Group

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  1. Published

    Challenges in molecular simulation of homogeneous ice nucleation

    Brukhno, A. V., Anwar, J., Davidchack, R. & Handel, R., 10/12/2008, In: Journal of Physics: Condensed Matter. 20, 49, 17 p., 494243.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  2. Published

    Prediction of aqueous solubility of a strongly soluble solute from molecular simulation

    Carruthers, J., Ferrario, M. & Anwar, J., 28/07/2023, In: Journal of Chemical Physics. 159, 4, 044114.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  3. Published

    Ab initio structure determination of sulfathiazole polymorph V from synchrotron X-ray powder diffraction data

    Chan, FC., Anwar, J., Cernik, R., Barnes, P. & Wilson, RM., 1/06/1999, In: Journal of Applied Crystallography. 32, p. 436-441 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  4. Published

    An optimized force field for crystalline phases of resorcinol

    Chatchawalsaisin, J., Kendrick, J., Tuble, S. C. & Anwar, J., 2008, In: CrystEngComm. 10, 4, p. 437-445 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  5. Published

    Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

    D’Amore, L., Hahn, D. F., Dotson, D. L., Horton, J. T., Anwar, J., Craig, I., Fox, T., Gobbi, A., Lakkaraju, S. K., Lucas, X., Meier, K., Mobley, D. L., Narayanan, A., Schindler, C. E. M., Swope, W. C., in ’t Veld, P. J., Wagner, J., Xue, B. & Tresadern, G., 12/12/2022, In: Journal of Chemical Information and Modeling. 62, 23, p. 6094-6104 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  6. Published

    Ice I-h-water interfacial free energy of simple water models with full electrostatic interactions

    Davidchack, R. L., Handal, R., Anwar, J. & Brukhno, A. V., 07/2012, In: Journal of Chemical Theory and Computation. 8, 7, p. 2383-2390 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  7. Published

    Evaluation and optimization of a force field for crystalline forms of mannitol and sorbitol

    de Waard, H., Amani, A., Kendrick, J., Hinrichs, W. L. J., Frijlink, H. W. & Anwar, J., 14/01/2010, In: Journal of Physical Chemistry B. 114, 1, p. 429-436 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  8. Published

    Modulating the skin barrier function by DMSO: molecular dynamics simulations of hydrophilic and hydrophobic transmembrane pores

    den Otter, W. K., Notman, R., Anwar, J., Noro, M. G. & Briels, W. J., 08/2008, In: Chemistry and Physics of Lipids. 154, Supplement, p. S2-S3 2 p.

    Research output: Contribution to Journal/Magazine › Meeting abstract › peer-review

  9. Published

    A molecular dynamics simulation study of the effects of defects on the transformation pressure of polymorphic phase transformations

    Devani, S. & Anwar, J., 22/08/1996, In: Journal of Chemical Physics. 105, 8, p. 3215-3218 4 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  10. Published

    CD-MOFs Crystal Transformation from Dense to Highly Porous Form for Efficient Drug Loading

    Ding, H., Wu, L., Guo, T., Zhang, Z., Garba, B. M., Gao, G., He, S., Zhang, W., Chen, Y., Lin, Y., Liu, H., Anwar, J. & Zhang, J., 3/07/2019, In: Crystal Growth and Design. 19, 7, p. 3888-3894 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

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