Neuhauser, Daniel
| Website | Home URL |
| Division | Physical |
| Title |
Faculty Professor |
| Specialties | Physical Theory Theoretical Chemistry |
Contact Information
| Office | Young Hall 3049 (310) 206-1274 |
Short Biography
Dr. Neuhauser received his M.Sc. and Ph.D. from the California Institute of Technology.
Research Interests
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
Read more about our research topics »
Publications
[ Selected Publications ]
- 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).
- Direct delocalization for calculating electron transfer in fullerenes C. A. Arntsen, R. Reslan, S. Hernandez, Y. Gao, and D. Neuhauser Int. J. Quant. Chem., 113, 1885-1889 (2013).
- Self-averaging stochastic Kohn-Sham density functional theory R.Baer, D. Neuhauser and E. Rabani Phys. Rev. Lett. 111, 106402 (2013).
- Near-field for electrodynamics at sub-wavelength scales: Generalizing to an arbitrary number of dielectrics S. Li, Y. Gao and D. Neuhauser J. Chem. Phys., 136, 234104 (2012).
- Monte Carlo calculation of the exchange energy R. Baer and D.Neuhauser J. Chem. Phys., 137, 051103 (2012) (Communication)
- Dynamical quantum-electrodynamics embedding: Combining time-dependent density functional theory and the near-field method Y. Gao and D. Neuhauser J. Chem. Phys. 137, 074113 (2012).
- Electron transfer beyond the static picture: A TDDFT/TD-ZINDO study of a pentacene dimer R. Reslan, K. Lopata, C. Arntsen, N. Govind and D. Neuhauser J. Chem. Phys., 137, 22A502 (2012).
- Nanopolaritonics with a Continuum of Molecules: Simulations of Molecular-induced Selectivity in Plasmonics Transport through a Continuous Y-Shape D. Neuhauser J. Chem. Phys. 135, 204305 (2011).