Emine Kucukbenli

Clinical Assistant Professor, Information Systems
  • Office 615A
    Questrom School of Business
    Rafik B. Hariri Building
    595 Commonwealth Avenue
    Boston, MA 02215

  • Download CV
  • PhD, SISSA, Italy, 2011
  • BSc, Bilkent University, Turkey, 2006
  • Shaidu, Y., Kucukbenli, E., Lot, R., Pellegrini, F., Kaxiras, E., de Gironcoli, S. (2021). "A Systematic Approach to Generating Accurate Neural Network Potentials: the Case of Carbon", npj Computational Materials
  • Li, Q., Kucukbenli, E., Lam, S., Khaykovich, B., Kaxiras, E., Li, J. (2021). "Development of Robust Neural-Network Interatomic Potential for Molten Salt", Cell Reports Physical Science
  • Lot, R., Pellegrini, F., Shaidu, Y., Kucukbenli, E. (2020). "Panna: Properties from artificial neural network architectures", Computer Physics Communications, 256 107402-107402
  • Oliveira, M., Papior, N., Pouillon, Y., Blum, V., Artacho, E., Caliste, D., Corsetti, F., De Gironcoli, S., Elena, A., García, A., Kucukbenli, E., others, . (2020). "The CECAM electronic structure library and the modular software development paradigm", The Journal of Chemical Physics, 153 024117-024117
  • Kucukbenli, E., Lot, R., Shaidu, Y., pellegrini, f. (2019). "PANNA: Properties from Artificial Neural Network Architectures",
  • Shaidu, Y., Kucukbenli, E., De Gironcoli, S. (2018). "Lithium adsorption on graphene at finite temperature", The Journal of Physical Chemistry C, 122 20800-20808
  • Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., Kucukbenli, E., others, . (2018). "QE: Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization",
  • Giannozzi, P., Andreussi, O., Baroni, S., Bonini, N., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Kucukbenli, E., others, . (2017). "Advanced capabilities for materials modelling with Quantum ESPRESSO", Journal of Physics: Condensed Matter, 29 465901-465901
  • Bull, C., Flowitt-Hill, G., De Gironcoli, S., Kucukbenli, E., Parsons, S., Pham, C., Playford, H., Tucker, M. (2017). "?-Glycine: insight into the mechanism of a polymorphic phase transition", IUCrJ, 4 569-574
  • Sabatini, R., Kucukbenli, E., Pham, C., de Gironcoli, S. (2016). "Phonons in nonlocal van der Waals density functional theory", Physical Review B, 93 235120-235120
  • Lejaeghere, K., Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I., Clark, S., Dal Corso, A., Kucukbenli, E., others, . (2016). "Reproducibility in density functional theory calculations of solids", Science
  • Ferreira, A., Kucukbenli, E., De Gironcoli, S., Souza, W., Chiaro, S., Konstantinova, E., Leit ao, A. (2013). "Structural models of activated ?-alumina surfaces revisited: Thermodynamics, NMR and IR spectroscopies from ab initio calculations", Chemical Physics, 423 62-72
  • Sabatini, R., Küçükbenli, E., Kolb, B., Thonhauser, T., de Gironcoli, S. (2012). "Structural evolution of amino acid crystals under stress from a non-empirical density functional", Journal of Physics: Condensed Matter, 24 (42), 424209-424209
  • Kucukbenli, E., Sonkar, K., Sinha, N., de Gironcoli, S. (2012). "Complete 13 C NMR Chemical Shifts Assignment for Cholesterol Crystals by Combined CP-MAS Spectral Editing and ab-initio GIPAW Calculations with Dispersion Forces", The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory
  • Ferreira, A., Küçükbenli, E., Leitao, A., de Gironcoli, S. (2011). "Ab initio 27 Al NMR chemical shifts and quadrupolar parameters for Al 2 O 3 phases and their precursors", Physical Review B, 84 235119-235119
  • Kucukbenli, E. (2011). "Nuclear Magnetic Resonance Study of Complex Molecular Crystals From First Principles: Case of Cholesterol",
    Research Presentations
  • Kucukbenli, E. Atomistic modeling with Neural Network Potentials with PANNA, Machine-learning Interatomic Potentials Young and Early Career Researcher's Workshop, Online, 2021
  • Kucukbenli, E. Neural networks for atomistic modelling-are we there yet?, American Physical Society March Meeting 2021, 2021
  • Kucukbenli, E. Bypassing Quantum Mechanics: Atomistic Modelling with Neural Networks, Quantum Techniques in Machine Learning 2020, Virtual, 2020
  • Kaxiras, E. , Kucukbenli, E. Neural Network Potentials for Twisted Few-Layer Materials, American Physical Society March Meeting 2020, Virtual, 2020
  • Kucukbenli, E. Materials design from first principles with artificial neural networks, Machine Learning for Quantum Design, Perimeter Institute, 2019
  • Kucukbenli, E. , Lot, R. , Pellegrini, F. , Shaidu, Y. Machine Learning and Crystal Structure Prediction of Molecular Crystals, American Physical Society March Meeting 2019, Boston, MA, 2019
  • Kucukbenli, E. Potential of Neural Networks for Crystal Structure Prediction of Molecular Crystals, Workshop on Crystal Structure Prediction: Exploring the Mendeleev Table as a Palette to Design New Materials, Trieste, Italy, 2019
    Awards and Honors
  • 2020, Emerging Leaders 2020, Institute of Physics (IOP) Publishing Group