Professional Summary

Computational semiconductor physicist linking first-principles simulations to TCAD-ready parameters. Experienced with DFT electronic structure, EPW-derived lifetimes, and translating atomistic results into mobility, relaxation, and band-alignment insights. Build Python/HPC automation and NanoDCAL NEGF workflows for 2D TMD transport and I-V analysis.

Research Interests

• TCAD-oriented device physics: linking atomistic properties to device-level metrics (transport, lifetime, mobility trends).
• Quantum transport for nanoscale FETs: NEGF-based transistor modeling and scaling behavior.
• 2D semiconductors (TMDs): channel physics, band alignment, and transport-limiting mechanisms.

Research Experience

• Large-scale DFT simulations (VASP, Quantum ESPRESSO, JDFTx) to characterize electronic structure and carrier behavior in TiN and NbN thin films.
• Computed electron-phonon coupling (Wannier90 + EPW) to extract scattering rates and carrier lifetimes for mobility interpretation.
• Modeled anisotropic carrier transport with Boltzmann transport formalisms; linked crystallographic orientation to transport and relaxation pathways.
• Built automated Python post-processing pipelines for band/DOS analysis, EPC-derived lifetime statistics, and optical property visualization.
• Executed production-scale simulations on HPC clusters (Slurm/PBS); optimized convergence strategy for reliable trends.
• Initiated NEGF-based quantum transport simulations using NanoDCAL for 2D TMD transistor modeling and I-V characteristics.

• Modeled strain-dependent bandgap and band alignment tuning in Janus WSSe monolayers using DFT.
• Predicted photocatalytic activity changes by correlating electronic structure modulation with redox potential alignment.

Selected Projects

• EPC-limited relaxation in TiN/NbN: quantified temperature-dependent scattering rates and lifetimes; analyzed anisotropy versus crystal orientation for thin-film transport interpretation.
• 3d TM-doped 2D PVSK: quantified optoelectronic property tuning via 3d transition-metal doping and identified a semiconductor-to-half-metal transition.
• NEGF-based transistor modeling in 2D TMDs (NanoDCAL): initiated quantum transport workflow for nanoscale FET channels; analyzing transport signatures for device-relevant performance trends.

Technical Skills

• Methods: DFT, GW, Wannier interpolation, electron-phonon coupling, Boltzmann transport, NEGF quantum transport.
• Software: VASP, Quantum ESPRESSO, JDFTx, EPW, Wannier90, NanoDCAL.
• Programming: Python (NumPy, Pandas, Matplotlib), Bash, Git.
• HPC: Slurm/PBS job scripting, parallel computing, convergence optimization.
• Visualization: VESTA, XCrySDen.

Selected Research Impact

• Quantified EPC-limited carrier lifetimes across temperature regimes for metallic thin films.
• Identified orientation-dependent anisotropic scattering pathways in TiN thin films.
• Demonstrated strain-induced bandgap modulation in 2D semiconductors for electronic property tuning.
• Initiated NEGF-based quantum transport studies for 2D TMD transistor channels to bridge atomistic physics with device-relevant transport behavior.

Publications

• P. Srivastva, B. Bazri, Y.-T. Hung, H. Verma, et al., Nano Energy 146 (2025) 111559. DOI
• L. T. Ngo, Y.-T. Huang, C.-C. Chang, H. Verma, et al., Nano Energy 142 (2025) 111230. DOI
• L. T. Ngo, W.-T. Huang, H. Verma, et al., ACS Applied Materials & Interfaces 16(48): 66262-66272 (2024). DOI
• A. Thakran, A. Mohapatra, H. Verma, et al., ACS Applied Energy Materials 7(8): 3039-3048 (2024). DOI
• H. Verma, A. J. Kale, et al., Journal of Electronic Materials 50: 7230-7239 (2021). DOI

Manuscripts Under Review / Submitted

• H. Verma, T.-Y. Peng, et al., Anisotropic hot carrier relaxation mediated by electron-phonon scattering in TiN thin films, under review in Surfaces and Interfaces (2026).
• H. Verma, S.-C. Huang, C.-C. Kaun*, Electronic and optical responses in BA₂PbBr₄: from semiconductor to half-metal via 3d transition-metal doping, submitted to Materials Today Physics (2026).

Honors and Awards

• Best Paper Award, Center for Theoretical Physics, NTU (2025).
• TIGP Fellowship (Academia Sinica) (2021-Present).
• Rajiv Gandhi Academic Scholarship (Government of India) (2023).
• INSPIRE Scholarship (Top 1% in HSC Board) (2016).

Summer Schools and Workshops

• Oct 2025, H. Verma*, T.-Y. Peng, Y.-H. Chan, Y.-J. Lu, C.-C. Kaun, Orientation-Dependent Hot Carrier Relaxation in TiN Thin Films Facilitated by Electron-Phonon Scattering, The 26th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-26), Japan. Financial support: NCTS.
• Jan 2025, H. Verma*, T.-Y. Peng, Y.-H. Chan, Y.-J. Lu, C.-C. Kaun, Impact of Crystal Orientation on Hot Carrier Lifetimes in Titanium Nitride, Taiwan Physical Society Annual Meeting, Kaohsiung, Taiwan. Financial support: Academia Sinica.
• 2024, Summer School on First Principles Computational Materials - Advanced Level, National Tsing Hua University, Taiwan. Financial support: NCTS.
• 2024 (Aug 22-23), 22nd Workshop on First-Principles Computational Materials Physics, Tainan, Taiwan. Financial support: NCTS.