Tara Maria Boland

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Tara Maria Boland

 https://orcid.org/0000-0002-2587-5677

  • Fysikvej, 309, 206

    2800 Kgs. Lyngby

    Denmark

Search results

  • 2024

    Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

    Evans, M. L., Bergsma, J., Merkys, A., Andersen, C. W., Andersson, O. B., Beltrán, D., Blokhin, E., Boland, T. M., Castañeda Balderas, R., Choudhary, K., Díaz Díaz, A., Domínguez García, R., Eckert, H., Eimre, K., Fuentes Montero, M. E., Krajewski, A. M., Mortensen, J. J., Nápoles Duarte, J. M., Pietryga, J. & Qi, J. & 39 others, Trejo Carrillo, F. D. J., Vaitkus, A., Yu, J., Zettel, A., de Castro, P. B., Carlsson, J., Cerqueira, T. F. T., Divilov, S., Hajiyani, H., Hanke, F., Jose, K., Oses, C., Riebesell, J., Schmidt, J., Winston, D., Xie, C., Yang, X., Bonella, S., Botti, S., Curtarolo, S., Draxl, C., Fuentes Cobas, L. E., Hospital, A., Liu, Z. K., Marques, M. A. L., Marzari, N., Morris, A. J., Ong, S. P., Orozco, M., Persson, K. A., Thygesen, K. S., Wolverton, C., Scheidgen, M., Toher, C., Conduit, G. J., Pizzi, G., Gražulis, S., Rignanese, G. M. & Armiento, R., 2024, In: Digital Discovery. 3, 8, p. 1509-1533

    Research output: Contribution to journal › Journal article › Research › peer-review

    Open Access
    File
    14 Downloads (Pure)

  • GPAW: An open Python package for electronic structure calculations

    Mortensen, J. J., Larsen, A. H., Kuisma, M., Ivanov, A. V., Taghizadeh, A., Peterson, A., Haldar, A., Dohn, A. O., Schäfer, C., Jónsson, E. Ö., Hermes, E. D., Nilsson, F. A., Kastlunger, G., Levi, G., Jónsson, H., Häkkinen, H., Fojt, J., Kangsabanik, J., Sødequist, J. & Lehtomäki, J. & 27 others, Heske, J., Enkovaara, J., Winther, K. T., Dulak, M., Melander, M. M., Ovesen, M., Louhivuori, M., Walter, M., Gjerding, M., Lopez-Acevedo, O., Erhart, P., Warmbier, R., Würdemann, R., Kaappa, S., Latini, S., Boland, T. M., Bligaard, T., Skovhus, T., Susi, T., Maxson, T., Rossi, T., Chen, X., Schmerwitz, Y. L. A., Schiøtz, J., Olsen, T., Jacobsen, K. W. & Thygesen, K. S., 2024, In: Journal of Chemical Physics. 160, 9, 41 p., 092503.

    Research output: Contribution to journal › Review › peer-review

    Open Access
    File
    348 Downloads (Pure)