个人简介

Dr. Neuhauser received his M.Sc. and Ph.D. from the California Institute of Technology.

研究领域

Physical/Theory/Theoretical Chemistry

We are interested in a theoretical understanding of nanoscale devices capable of controlling: light (plasmonics, nanopolaritonics) current (nanoelectronics) spin (spintronics, spinbirefringence) We use computer simulations to model the physical properties of various classes of nanosystems such as: Combined plasmon/molecule systems Extended poly-aromatic hydrocarbons Molecular wire/ring systems bonded to heavy metals

近期论文

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A guided stochastic energy-domain formulation of the second order Møller-Plesset perturbation theory Q. Ge, Y. Gao, R. Baer, E. Rabani and D. Neuhauser J.Phys. Chem. Lett., 5, 189-185 (2014). Understanding Local and Macroscopic Electron Mobilities in the Fullerene Network of Conjugated Polymer-based Solar Cells: Time-Resolved Microwave Conductivity and Theory J. C. Aguirre ,C. Arntsen , S. Hernandez , R. Huber , A. M. Nardes , M. Halim , D. Kilbride , Y. Rubin , S. H. Tolbert , N. Kopidakis , B. J. Schwartz and D. Neuhauser Adv. Func. Mater., 24, 784 (2014). Size-Dependent Plasmonic Resonances from Large-Scale Quantum Simulations H. Xiang, X.Zhang, D. Neuhauser and G. Lu, J. Phys. Chem. Lett., 5, 1163 (2014). Embedded fragment stochastic density functional theory D. Neuhauser, R. Baer and E. Rabani J. Chem. Phys. 141, 041102 (2014). (Communication). Multiexciton Generation in Seeded Nanorods H. Eshet, R.Baer, D. Neuhauser and E. Rabani J. Phys. Chem. Lett., 5, 2580 (2014). Breaking the Theoretical Scaling Limit for Predicting Quasiparticle Energies: The Stochastic GW Approach D. Neuhauser, Y.Gao, C. Arntsen, C. Karshenas, E. Rabani and R. Baer Phys. Rev. Lett., 113, 076402 (2014). (Editor’s choice) Expeditious stochastic approach for MP2 energies in large electronic systems D. Neuhauser, E.Rabani and R. Baer J. Chem. Theory Comput. 9, 24-27 (2013) (Communication) Expeditious Stochastic Calculation of Random-Phase Approximation Energies for Thousands of Electrons in 3 Dimensions D. Neuhauser, E.Rabani and R. Baer J. Phys. Chem. Lett., 4, 1172 (2013). (Communication). Nanodentures and mechanical electrodynamics: 3D relative orientation of plasmonic nanoarches from absorption spectra R. C. Boutelle,Y. Gao, C. A. Arntsen and D. Neuhauser J. Phys. Chem. C, 117, 9381-9385 (2013). Dynamical embedding: Correct quantum response from coupling TDDFT for a small cluster with classical near-field electrodynamics for an extended region Yi Gao and D.Neuhauser J. Chem. Phys. 138, 181105 (2013). (Communication).