Computational Materials Physicist
Ph.D. in Physics · National Taiwan University & Academia Sinica · Taipei, Taiwan
First-principles physicist working on carrier dynamics, interfaces, and quantum transport in emerging materials — combining large-scale DFT and electron–phonon calculations with automated Python workflows, tested against experiment.
Recent publications, awards, and conference activity.
🎓 Successfully defended my Ph.D. in Physics at National Taiwan University (TIGP, Academia Sinica), advised by Prof. Chao-Cheng Kaun.
📄 First-author paper published: Anisotropic hot carrier relaxation mediated by electron–phonon scattering in TiN thin films, Surfaces and Interfaces 97, 110258. Read it ↗
🎤 Gave an oral presentation at the 24th Workshop on First-Principles Computational Materials Physics, Tainan, Taiwan.
Three manuscripts under review, spanning layered-perovskite doping, lithium–sulfur battery membranes, and continuous-flow perovskite quantum dot synthesis.
👩🏫 Taught as TA for Modern Physics Laboratory at National Taiwan University, after Quantum Mechanics at Academia Sinica in Fall 2025.
Presented poster P-196 at the 26th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-26), Tsukuba, Japan.
🏆 Received the Best Paper Award from the Center for Theoretical Physics, National Taiwan University.
Two papers published in Nano Energy on perovskite quantum-dot inks and Li+ transport in solid-state battery electrolytes.
Connecting atomistic first-principles physics to measurable material behaviour.
Ab-initio scattering rates and hot-carrier lifetimes, validated against ultrafast pump–probe spectroscopy.
Result: anisotropic hot-carrier relaxation in TiN thin films
DFT+NEGF simulations of van der Waals contacts and field-effect device geometries.
Focus: contact resistance, transmission, and band alignment
Transition metal nitrides, layered and quantum-dot perovskites, 2D heterostructures, and solid-state battery interfaces.
Including semiconductor-to-half-metal tuning in (BA)2PbBr4
Automated Python pipelines for large-scale DFT campaigns on national supercomputing facilities.
VASP · Quantum ESPRESSO · JDFTx · EPW · Wannier90
Research software I build and maintain.
Open-source scientific data analysis & plotting
An open-source desktop application for analyzing measurement data — including J–V curves and routine solar-cell characterisation — producing fast, reproducible, publication-quality figures without writing code. Sole developer.
Peer-reviewed articles and manuscripts in progress. Filter by year below.
6.
Anisotropic hot carrier relaxation mediated by electron–phonon scattering in TiN thin films
Surfaces and Interfaces 2026, 97, 110258. DOI ↗ arXiv ↗
@article{verma2026anisotropic,
title = {Anisotropic hot carrier relaxation mediated by electron--phonon scattering in TiN thin films},
author = {Verma, Hemant and Peng, Tzu-Yu and Yeh, Shyr-Shyan and Huang, Sheng-Chieh and Sardar, Pritam and Chan, Yang-Hao and Lu, Yu-Jung and Kaun, Chao-Cheng},
journal = {Surfaces and Interfaces},
volume = {97},
pages = {110258},
year = {2026},
doi = {10.1016/j.surfin.2026.110258}
}
5.
Probing Interfacial Chemistry of Functionalized Ceramic Nanoparticles to Optimize Li+ Pathways in Polymer Electrolytes for Solid-State Lithium Metal Batteries
Nano Energy 2025, 146, 111559. DOI ↗
@article{srivastva2025probing,
title = {Probing Interfacial Chemistry of Functionalized Ceramic Nanoparticles to Optimize Li+ Pathways in Polymer Electrolytes for Solid-State Lithium Metal Batteries},
author = {Srivastva, P. and Bazri, B. and Hung, Y.-T. and Verma, Hemant and others},
journal = {Nano Energy},
volume = {146},
pages = {111559},
year = {2025},
doi = {10.1016/j.nanoen.2025.111559}
}
4.
High-Efficiency and Ultrastable Solvent-Free Curable Perovskite Quantum Dot Inks for MicroLED and LED Backlighting Applications
Nano Energy 2025, 142, 111230. DOI ↗
@article{ngo2025high,
title = {High-Efficiency and Ultrastable Solvent-Free Curable Perovskite Quantum Dot Inks for MicroLED and LED Backlighting Applications},
author = {Ngo, L. T. and Huang, Y.-T. and Chang, C.-C. and Verma, Hemant and others},
journal = {Nano Energy},
volume = {142},
pages = {111230},
year = {2025},
doi = {10.1016/j.nanoen.2025.111230}
}
3.
Hybrid-Protected Perovskite Quantum Dot Films with Ultra-High Efficiency and Stability for LED Backlighting
ACS Applied Materials & Interfaces 2024, 16 (48), 66262–66272. DOI ↗
@article{ngo2024hybrid,
title = {Hybrid-Protected Perovskite Quantum Dot Films with Ultra-High Efficiency and Stability for LED Backlighting},
author = {Ngo, Loan Thi and Huang, Wen-Tse and Verma, Hemant and Lin, Yen-Huei and Liang, Ling-Wei and Fang, Chia-Te and Chang, Jia-Cheng and Chu, Wen-Chung and Su, Chaochin and Kaun, Chao-Cheng and Liu, Ru-Shi},
journal = {ACS Applied Materials \& Interfaces},
volume = {16},
number = {48},
pages = {66262--66272},
year = {2024},
doi = {10.1021/acsami.4c15012}
}
2.
Cascaded-Type Band Alignment of a WBG Perovskite/NBG Perovskite for Heterostructure Solar Cells
ACS Applied Energy Materials 2024, 7 (8), 3039–3048. DOI ↗
@article{thakran2024cascaded,
title = {Cascaded-Type Band Alignment of a WBG Perovskite/NBG Perovskite for Heterostructure Solar Cells},
author = {Thakran, Anjali and Mohapatra, Anisha and Verma, Hemant and Hofmann, Mario and Ansari, Zeeshan Alam and Hanmandlu, Chintam and Lu, Chung Hsin and Chu, Chih Wei},
journal = {ACS Applied Energy Materials},
volume = {7},
number = {8},
pages = {3039--3048},
year = {2024},
doi = {10.1021/acsaem.3c02258}
}
1.
Enhanced Photocatalytic Activity in Strain Engineered Janus WSSe Monolayers
Journal of Electronic Materials 2021, 50, 7230–7239. DOI ↗
@article{verma2021enhanced,
title = {Enhanced Photocatalytic Activity in Strain Engineered Janus WSSe Monolayers},
author = {Verma, Hemant and Kale, Abhijeet J. and Prakash, Chandra and Harb, Moussab and Dixit, Ambesh},
journal = {Journal of Electronic Materials},
volume = {50},
pages = {7230--7239},
year = {2021},
doi = {10.1007/s11664-021-09215-w}
}
Design and Simulation of Perovskite Solar Cells: A Numerical Approach Towards Device Structure Optimization
In H. P. Dasari, C. S. Rao, V. Nair (eds.), Proceedings of the 1st National Conference on Climate Resilience and Environmentally Sustainable Technologies (NITK-CREST 2025), Proceedings in Technology Transfer, Springer, Singapore, 2026, 133–142. DOI ↗
@incollection{santosh2026design,
title = {Design and Simulation of Perovskite Solar Cells: A Numerical Approach Towards Device Structure Optimization},
author = {Guru Santosh, C. and Verma, Hemant and Singh, S. S. and Kanakadas, T. G. and Lekshmi, S. B. and Mohapatra, A. and Meena, M. L.},
booktitle = {Proceedings of the 1st National Conference on Climate Resilience and Environmentally Sustainable Technologies (NITK-CREST 2025)},
series = {Proceedings in Technology Transfer},
publisher = {Springer, Singapore},
pages = {133--142},
year = {2026},
doi = {10.1007/978-981-95-3218-6_11}
}
Electronic and Optical Responses in (BA)2PbBr4 Layered Perovskites through 3d Transition Metal Doping from First Principles
Under revision, Surfaces and Interfaces (2026).
Synergistic Adsorption and Catalysis of Lithium Polysulfides using a Bilayer Membrane Enables Long-Life Lithium–Sulfur Batteries
Submitted, Journal of Energy Storage (2026).
Continuous-Flow Synthesis of High-Efficiency Perovskite Quantum Dots for Broad Optoelectronic Applications
Under revision, Nano Energy (2026). Preprint: SSRN 7067984 ↗
* Corresponding author
Education, research experience, skills, and recognitions.
Hemant Verma, Ph.D.
Computational Materials Physicist
Verma0001@as.edu.tw
+886-908363245
First-principles physicist working on carrier dynamics, interfaces, and quantum transport in emerging materials. Six peer-reviewed papers, three more under review, spanning transition metal nitrides, layered and quantum dot perovskites, two-dimensional heterostructures, and solid-state battery interfaces. Combines large-scale DFT and electron–phonon calculations with automated Python workflows, and works directly with experimental groups to test predictions against ultrafast spectroscopy and device data.
Ph.D. in Physics
National Taiwan University, Taiwan
Taiwan International Graduate Program (TIGP), Academia Sinica – Nano Science and Technology · CGPA: 3.94/4.3
Advisor: Prof. Chao-Cheng Kaun (RCAS, Academia Sinica) · Oral defense: 4 August 2026
2021–2026
M.Sc. in Physics
Indian Institute of Technology (IIT) Jodhpur, India
CGPA: 8.14/10
2019–2021
B.Sc. in Physics
Maharaja College, University of Rajasthan, Jaipur, India
2016–2019
Doctoral Researcher
Research Center for Applied Sciences (RCAS), Academia Sinica
Advisor: Prof. Chao-Cheng Kaun
2021–2026
M.Sc. Thesis Researcher – Strain-Induced Band Engineering in 2D Semiconductors
Department of Physics, IIT Jodhpur
2019–2021
Teaching Assistant, Modern Physics Laboratory
Department of Physics, National Taiwan University
Feb–Jun 2026
Teaching Assistant, Quantum Mechanics
Institute of Physics, Academia Sinica
TIGP Nano Science and Technology Program
Sep–Dec 2025
First-Principles Codes
VASP, Quantum ESPRESSO, JDFTx, EPW, Wannier90, NanoDCAL
Methods
DFT, GW, ab-initio electron–phonon coupling, Boltzmann transport, DFT+NEGF quantum transport, machine-learning interatomic potentials
Programming
Python (NumPy, Pandas, Matplotlib, ASE), Bash, Git, automated simulation workflows, Python package development
HPC
PBS and Slurm scripting, parallel computing on national supercomputing facilities
Visualization
VESTA, XCrySDen, Matplotlib
Experimental
Perovskite solar cell fabrication (spin and spray coating) in nitrogen glovebox, transfer printing, physical vapor deposition, XPS, UPS, XRD, TEM, SEM, PL
Best Paper Award
Center for Theoretical Physics, National Taiwan University
2025
Swami Vivekananda Scholarship for Academic Excellence
Govt. of Rajasthan, India
2023
TIGP Fellowship
Nano Science and Technology Program, Academia Sinica
2021
INSPIRE Scholarship
Department of Science and Technology, Govt. of India
2016
24th Workshop on First-Principles Computational Materials Physics
Tainan, Taiwan
Oral presentation: "First-Principles Insights into Interfacial Engineering for Energy Materials" · Financial support: NCTS
Jun 2026
26th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-26)
Tsukuba International Congress Center, Japan
Poster P-196: "Orientation-Dependent Hot Carrier Relaxation in TiN Thin Films Facilitated by Electron–Phonon Scattering" · Financial support: NCTS
Oct 2025
Taiwan Physical Society Annual Meeting
National Sun Yat-sen University, Kaohsiung, Taiwan
Poster: "Impact of Crystal Orientation on Hot Carrier Lifetimes in Titanium Nitride" · Financial support: Academia Sinica
Jan 2025
Summer School on First-Principles Computational Materials – Advanced Level
National Tsing Hua University (NTHU), Hsinchu, Taiwan
Financial support: NCTS
2024
22nd Workshop on First-Principles Computational Materials Physics
Tainan, Taiwan
Financial support: NCTS
Aug 2024
Mentorship
Supervised interns and master's students in computational and experimental projects.
Courses I teach and the resources I build for students.
Phys8067 · 114-1 · TIGP, Academia Sinica
Course hub for the Fall 2025 offering of introductory graduate quantum mechanics (TIGP) that I supported as teaching assistant — syllabus and weekly topics, homework, lecture notes, reference books, and a student results portal. Kept online as a reference for anyone who wants to revisit the material.
Notes and walkthroughs on scientific computing tools.
Learn the basics of Python programming, including syntax, data types, and control structures.
View TutorialTo be continued...
Get started with MATLAB, covering basic operations, plotting, and scripting.
View TutorialTo be continued...
Happy to discuss research, collaborations, or opportunities.
Verma0001@as.edu.tw
Research Center for Applied Sciences, Academia Sinica, Taipei, Taiwan
(+886) 908 363 245
National Taiwan University (TIGP) · Academia Sinica (RCAS)