no code implementations • 5 Jan 2021 • Burak Guzelturk, Benjamin L. Cotts, Dipti Jasrasaria, John P. Philbin, David A. Hanifi, Brent A. Koscher, Arunima D. Balan, Ethan Curling, Marc Zajac, Suji Park, Nuri Yazdani, Clara Nyby, Vladislav Kamysbayev, Stefan Fischer, Zach Nett, Xiaozhe Shen, Michael E. Kozina, Ming-Fu Lin, Alexander H. Reid, Stephen P. Weathersby, Richard D. Schaller, Vanessa Wood, Xijie Wang, Jennifer A. Dionne, Dmitri V. Talapin, A. Paul Alivisatos, Alberto Salleo, Eran Rabani, Aaron M. Lindenberg
Investigation of the excitation energy dependence shows that hot carriers created by a photon energy considerably larger than the bandgap induce structural distortions at nanocrystal surfaces on few picosecond timescales associated with the localization of trapped holes.
Mesoscale and Nanoscale Physics
no code implementations • 3 Jul 2018 • Dipti Jasrasaria, Edward O. Pyzer-Knapp
Bayesian optimization offers the possibility of optimizing black-box operations not accessible through traditional techniques.
no code implementations • 19 Aug 2016 • Dipti Jasrasaria, Edward O. Pyzer-Knapp, Dmitrij Rappoport, Alan Aspuru-Guzik
While the structure representations based on atom connectivities are prevalent for molecules, two-dimensional descriptors are not suitable for describing molecular crystals.