| Stochastic density functional theory at finite temperatures Y Cytter, E Rabani, D Neuhauser, R Baer Physical Review B 97 (11), 115207, 2018 | 54 | 2018 |
| Stochastic optimally tuned range-separated hybrid density functional theory D Neuhauser, E Rabani, Y Cytter, R Baer The Journal of Physical Chemistry A 120 (19), 3071-3078, 2016 | 46 | 2016 |
| Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics A Nandy, DBK Chu, DR Harper, C Duan, N Arunachalam, Y Cytter, ... Physical Chemistry Chemical Physics 22 (34), 19326-19341, 2020 | 26 | 2020 |
| Transition to metallization in warm dense helium-hydrogen mixtures using stochastic density functional theory within the Kubo-Greenwood formalism Y Cytter, E Rabani, D Neuhauser, M Preising, R Redmer, R Baer Physical Review B 100 (19), 195101, 2019 | 15 | 2019 |
| Metropolis evaluation of the hartree–fock exchange energy Y Cytter, D Neuhauser, R Baer Journal of chemical theory and computation 10 (10), 4317-4323, 2014 | 14 | 2014 |
| Ligand additivity and divergent trends in two types of delocalization errors from approximate density functional theory Y Cytter, A Nandy, A Bajaj, HJ Kulik The Journal of Physical Chemistry Letters 13 (20), 4549-4555, 2022 | 3 | 2022 |
| Insights into the deviation from piecewise linearity in transition metal complexes from supervised machine learning models Y Cytter, A Nandy, C Duan, HJ Kulik Physical Chemistry Chemical Physics 25 (11), 8103-8116, 2023 | 2 | 2023 |
| Transition to metallization in warm dense helium-hydrogen mixtures using stochastic density functional theory Y Cytter, E Rabani, D Neuhauser, M Preising, R Redmer, R Baer Bulletin of the American Physical Society 65, 2020 | | 2020 |
| A Stochastic approach to thermal DFT Y Cytter, D Neuhauser, E Rabani, R Baer APS March Meeting Abstracts 2019, G70. 343, 2019 | | 2019 |
| Stochastic adventures in density functional theory and beyond R Baer, E Arnon, Y Cytter, M Fabian, B Schpiro, V Vlcek, E Rabani, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
DANIEL NEUHAUSERProfessor, Department of Chemistry and Biochemistry, UCLAVerified email at g.ucla.edu
