Dhabih Chulhai

RESEARCH FOCUS

    I am interested in developing and using computational methods to accurately describe chemistry in complex systems. My research focus in the Goodpaster group include:

1. Developing correlated wave function in density functional theory embedding (WF-in-DFT) using the projection-based approach for both molecules and materials with periodic boundary conditions.
2. Using machine learning techniques to accurately solve for the full configuration interaction (FCI) wave function.

BIO

Postdoctoral Associate; University of Minnesota                               Sept 2016 - Present

Advisor: Jason D. Goodpaster

Ph.D. Chemistry; The Pennsylvania State University                          Aug 2011 - Aug 2016

Thesis: “Interpreting the Spectral Signatures of Surface-Enhanced Raman Scattering”

Advisor: Lasse Jensen

B.S. Chemistry; York College, City University of New York                Sept 2009 - May 2011

GPA: 4.00/4.00 (summa cum laude)

University of Guyana. Georgetown, Guyana                                           Jan 2006 - Dec 2007

PUBLICATIONS

1. D.V. Chulhai; J.D. Goodpaster; “Projection-based Correlated Wave Function in Density Functional Theory Embedding for Periodic Systems” J. Chem. Theory Comput. 2018, 14, 1928.
2. P. Liu; D.V. Chulhai; L. Jensen; “Single Molecule Imaging Using Atomistic Near-Field Tip-Enhanced Raman Spectroscopy” ACS Nano 2017, 11, 5094.
3. D.V. Chulhai; J.D. Goodpaster; “Improved Accuracy and Efficiency in Quantum Embedding through Absolute Localization” J. Chem. Theory Comput. 2017, 13, 1503.
4. M. Mattei; G. Kang; G. Goubert; D.V. Chulhai; G. Schatz; L. Jensen; R.P. Van Duyne; “Tip-Enhanced Raman Voltammetry: Coverage Dependence and Quantitative Modeling” Nano Lett. 2017, 17, 590.
5. N. Chiang; X. Chen; G. Goubert; D.V. Chulhai; X. Chen; E.A. Pozzi; N. Jiang, M.C. Hersam; T. Seideman; L. Jensen; R.P. Van Duyne; “Conformational Contrast of Surface-Mediated Molecular Switches Yields Angstrom-Scale Spatial Resolution in Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy” Nano Lett. 2016, 16, 7774.
6. Z. Hu; D.V. Chulhai; L. Jensen; “Simulating Surface-Enhanced Hyper-Raman Scattering Using Atomistic Electrodynamics-Quantum Mechanical Methods” J. Chem. Theory Comput. 2016, 12, 5968.
7. S. Zaleski; M.F. Cardinal; D.V. Chulhai; A.J. Wilson; K.A. Willets; L. Jensen; R.P. Van Duyne; “Toward Monitoring Electrochemical Reactions with Dual-Wavelength SERS: Characterization of Rhodamine 6G (R6G) Neutral Radical Species and Covalent Tethering of R6G to Silver Nanoparticles” J. Phys Chem C. 2016, 120, 24982.
8. D.V. Chulhai; X. Chen; L. Jensen; “Simulating Ensemble-Averaged Surface-Enhanced Raman Scattering” J. Phys. Chem. C 2016, 120, 20833.
9. D.V. Chulhai; L. Jensen; “External Orthogonality in Subsystem Time-Dependent Density Functional Theory” Phys. Chem. Chem. Phys. 2016, 18, 21032.
10. D.V. Chulhai; Z. Hu; J.E. Moore; X. Chen; L. Jensen; “Theory of Linear and Nonlinear Surface-Enhanced Raman Scattering” Annu. Rev. Phys. Chem. 2016, 67, 541.
11. D.V. Chulhai; L. Jensen; “Frozen Density Embedding with External Orthogonality in Delocalized Covalent Systems” J. Chem. Theory Comput. 2015, 11, 3080.
12. N. Chiang; N. Jiang; D.V. Chulhai; E.A. Pozzi; M.C. Hersam; L. Jensen; T. Seideman;  R.P. Van Duyne; “Molecular-Resolution Interrogation of a Porphyrin Monolayer by Ultrahigh Vacuum Tip-Enhanced Raman and Fluorescence Spectroscopy” Nano Lett. 2015, 15, 4114.
13. D.V. Chulhai; L. Jensen; “Plasmonic Circular Dichroism of 310- and alpha-Helix Using a Discrete Interaction Model/Quantum Mechanics Method” J. Phys. Chem. A 2015, 119, 5218.
14. D.V. Chulhai; L. Jensen; “Simulating Surface-Enhanced Raman Optical Activity Using Atomistic Electrodynamics-Quantum Mechanical Models” J. Phys. Chem. A 2014, 118, 9069.
15. J.M. Klingsporn; N. Jiang; E.A. Pozzi; M.D. Sonntag; D. Chulhai; T. Seideman; L. Jensen; M.C. Hersam; R.P. Van Duyne; “Intramolecular Insight into Adsorbate-Substrate Interactions via Low-Temperature, Ultrahigh-Vacuum Tip-Enhanced Raman Spectroscopy” J. Am. Chem. Soc. 2014, 136, 3881.
16. D.V. Chulhai; L. Jensen; “Determining Molecular Orientation with Surface-Enhanced Raman Scattering Using Inhomogeneous Electric Fields” J. Phys. Chem. C 2013, 117, 19622.
17. M.D. Sonntag; D. Chulhai; T. Seideman; L. Jensen; R.P. Van Duyne; “The Origin of Relative Intensity Fluctuations in Single-Molecule Tip-Enhanced Raman Spectroscopy” J. Am. Chem. Soc. 2013, 135, 17187.