L. S. Baker, S. A. Shah, Anatoly Zlotnik, Andrei Piryatinski, “Robust Quantum Gate Preparation in Open Environments”, Accepted to 2025 American Control Conference.
S. A. Shah, H. Vali, D. Okaue, K. Fukui, D. S. Yang, S. Baldelli, “Surface Structure Characterization of Rubrene(001) Single Crystal with Sum Frequency Generation Spectroscopy and Reflection High-Energy Electron Diffraction”, Journal of Chemical Physics, Vol. 162, Issue 1, 2025.
Michael R. Clark, S. A. Shah, Andrei Piryatinski, Maxim Sukharev, “Harnessing Complexity: Nonlinear Optical Phenomena in L-Shapes, Nanocrescents, and Split-Ring Resonators”, Journal of Chemical Physics, Vol. 161, Issue 10, 2024.
S. A. Shah, Michael R. Clark, Joseph Zyss, Maxim Sukharev, Andrei Piryatinski, “Interplay between gain and loss in arrays of nonlinear plasmonic nanoparticles: toward parametric downconversion and amplification”, Optics Letters, Vol. 49, Issue 7, 2024.
Fumika Suzuki, S. A. Shah, Diego A. R. Dalvit, Markus Arndt, “Requirements for probing chiral Casimir-Polder forces in a molecular Talbot-Lau interferometer”, Physical Review Research, Vol. 6, Issue 2, 2024.
Eric R. Bittner, Hao Li, S. A. Shah, Carlos Silva-Acuña, Andrei Piryatinski, “Correlated noise enhancement of coherence and fidelity in coupled qubits”, Philosophical Magazine, Pg. 1-17, 2024.
S. A. Shah, Hao Li, Eric R. Bittner, Carlos Silva, “QuDPy: a Python based tool for computing ultrafast non-linear optical responses”, Computer Physics Communications, Vol 292, 2023.
Eric R. Bittner, Carlos Silva, S. A. Shah, Hao Li, “Correlating exciton coherence length, localization, and its optical lineshape. I. a finite temperature solution of the Davydov soliton model”, Submitted, Journal of Chemical Physics (https://arxiv.org/abs/2203.05611)
Hao Li, S. A. Shah, Ajay Ram Srimath Kandada, Carlos Silva, Andrei Piryatinski, Eric R. Bittner, “The Optical Signatures of Stochastic Processes in Many-Body Exciton Scattering”, Annual Review of Physical Chemistry, Vol. 74, 2022
Hao Li, S. A. Shah, Eric R. Bittner, Andrei Piryatinski, Carlos Silva, “Stochastic exciton-scattering theory of optical lineshapes: Renormalized many-body contributions”, Journal of Chemical Physics 2022, Vol. 157
S. A. Shah, A. A. Pikalov and S. Baldelli, “ChemSpecNet: A Neural Network for Chemical Analysis of Sum Frequency Generation Spectroscopic Imaging”, Optics Communications, Vol 507, March 2022.
S. A. Shah and S. Baldelli, “Vibrational Ground-State depletion for enhanced resolution sum frequency generation microscopy”, Chemical Physics Letters, Vol 787, January 2022. (Editor’s Choice award)
S. A. Shah and S. Baldelli, “Chemical Imaging of Surfaces with Sum Frequency Generation Vibrational Spectroscopy”, Accounts of Chemical Research 2020, Vol. 53, Issue 6, Page 1139–1150.
Invited Talks & Presentations
“Spin dynamics of molecular qubits & entangled photon probes for spin systems”, Invited Seminar at From Fundamentals of Molecular Spin Qubit Design to Molecule-Enabled Quantum Information, Telluride Science Research Center, 2024
“QuDPy: A computational tool for nonlinear optics”, Invited Seminar at Excition-Photon Interactions for Quantum Systems, Telluride Science Research Center, 2023
“Computational and Machine Learning Solutions for Nonlinear Spectroscopic Response”, Invited Seminar at Center for Nonlinear Studies, Los Alamos National Lab, 2022.
“Stochastic Models for Exciton Induced Dephasing”, Excition-Photon Interactions for Quantum Systems, Telluride Science Research Center, 2021.
PhD Dissertation (Available here)
Title: Super-Resolution Imaging, Orientation Analysis and Image Processing with Machine Learning in Sum Frequency Generation Spectroscopy. Summary: I have focused on three main areas: super-resolution SFG imaging, molecular orientation analysis of a rubrene surface, and the application of machine learning for improved chemical image analysis.
Super-resolution SFG Microscopy: A significant portion of this work is dedicated to the development and implementation of a super-resolution SFG microscopy technique. This method utilizes the principle of ground state depletion (GSD), where a donut-shaped pump mid-infrared (IR) beam is employed to suppress the SFG process in the peripheral regions of the probe IR focal spot. This effectively reduces the signal-emitting area, leading to an enhanced spatial resolution beyond the diffraction limit. Simulations supported the feasibility of this approach. The developed raster scanning microscope, incorporating a vortex-phase-plate to shape the pump IR beam, demonstrated a resolution improvement of more than 3 times in a proof-of-concept experiment on a hydrogen-terminated silicon surface. The dissertation suggests that further refinements in optics and detection techniques could lead to true sub-micron resolution.
SFG Studies of Rubrene Single-Crystal Surface: The surface specificity and chemical sensitivity of SFG spectroscopy were utilized to analyse the orientation of molecules on a rubrene single-crystal. Spectroscopic measurements were performed under different azimuthal orientations and polarisation combinations. Spectral curve fitting and orientation analysis indicated a 45° tilt from the surface normal for the phenyl rings of the molecules on the rubrene surface. The study also observed evidence of electronically resonant SFG, suggesting complex pathways due to the visible and SF photon energies matching prominent electronic transitions in rubrene.
Neural Networks for Chemical Image Analysis: The dissertation explores the application of neural networks (NNs), a machine learning approach, to improve chemical assignment for pixels in SFG imaging. Trained through supervised learning on SFG spectra with known chemical labels from self-assembled monolayers (SAMs), the NNs were deployed to predict chemical labels for new pixel spectra. Tests revealed accuracy above 90% under high spectral noise conditions, demonstrating the potential to overcome the pixel binning requirements traditionally encountered in spectral fitting for chemical analysis, thereby preserving spatial resolution. The NN-generated chemical maps showed qualitative agreement with results from Target Factor Analysis (TFA), suggesting these techniques can be used to corroborate each other.
B.S. Thesis (Available here)
Title: Vibrating Sample Magnetometery: Analysis and Construction
Summary: In this project, I designed, constructed, and tested a Vibrating Sample Magnetometer (VSM) to measure the magnetic properties of materials. My goal was to build a functional, low-cost, and precise system that could be used for research and instructional purposes.
I began by exploring the theoretical foundations of magnetism, studying various types of magnetic materials and comparing existing magnetometry techniques. I chose the VSM due to its robustness and accuracy in capturing magnetization, especially in ferromagnetic samples. To create the vibration mechanism, I used a PASCO mechanical wave driver and measured the resulting vibrations with a Linear Variable Differential Transformer (LVDT). I then developed a detailed mathematical model of the system using transfer functions and Bode plots to analyze its frequency response and optimize performance.
For the detection mechanism, I modeled the magnetic field generated by a vibrating sample and designed detection coils that would best capture the resulting flux changes. I carefully selected the geometry and positioning of the coils to maximize sensitivity based on electromagnetic field gradients. After constructing the full system—which included the vibration mechanism, detection coils, an electromagnet, and a LabView-based data acquisition interface—I tested it using a steel ball bearing and an iron strip as sample materials. I was able to successfully measure magnetization and observe clear hysteresis behavior.
The VSM I developed worked well for strongly magnetic materials, capturing key magnetic features such as saturation and coercivity. However, the device’s sensitivity to weakly magnetic samples was limited, suggesting that future improvements—such as integrating a lock-in amplifier—could significantly enhance its performance. Overall, this project provided me with a comprehensive understanding of magnetic measurements and hands-on experience in building and characterizing a working magnetometer from scratch.