Dinesh Thapa, Ph.D.

phone 859-344-3367
place Science Center S221
today My first year at TMU was 2024
Degrees

1) Ph.D. in Physics, 2021, Mississippi State University, Mississippi, USA

2) M.S. in Physics, 2018, Mississippi State University, Mississippi, USA

3) M.Sc. in Physics, 2010, Central Department of Physics (CDP), Tribhuvan University (TU), Kathmandu, Nepal

4) B.Sc. in Physics, 2008, Tri-Chandra Campus, Tribhuvan University (TU), Kathmandu, Nepal 

Areas of Expertise and Research Interests

*** PRIMARY RESEARCH AREAS ***
1) Computational Physics, Chemistry, and Material Science; first-principles methods; Density Functional Theory (DFT); high performance computation (HPC); and molecular dynamics (MD) simulation.
2) Nanoscale modeling; novel 2D semiconductors, defect in 2D transition metal dichalcogenides (TMDCs), electrides, functionalized single walled carbon nanotubes (SWCNTs), Quantum Dots (QDs), amino-acids & nano-clay composites.
3) Structural, electronic, magnetic, elastic, photoluminescent & optical properties; singlet-triplet excitonic properties; non-adiabatic coupling & charge transfer dynamics using Red Field Tensor, & surface hopping method .
4) First principle phonon calculations; dynamical stability & thermal modeling.


SIMULATION & PROGRAMMING EXPERIENCES 

1) 10+ years of proficient experiences in material modeling & simulation using Density Functional Theory (DFT) in Linux platform & parallel computation. 

2) Proficiency in using standard software packages VASP, GAUSSIAN-16, SIESTA, ORIGINLAB, & EXCEL with programming experiences in PYTHON, BASH scripts, MATLAB, & FORTRAN.

3) Proficiency in Non-Adiabatic Molecular Dynamics (NAMD) simulations using VASP to study photoluminescent quantum yield (PLQY), charge transfer, and non-readiative recombination.

 EXPERIMENTAL SKILLS 
1) Developed experimental skills to synthesize & characterize nano-particles using sol-gel method.           (http://www.ijmse.net/uploadfile/2016/1214/20161214052559646.pdf)

2) Expertise in ionizing and non-ionizing radiation monitoring and radiation dosimetry.

3) Acquired instrumental skills on D2 Phaser X-ray Diffractometer (XRD), UV-visible spectrophotometer, Raman spectrometer, Atomic Absorption spectrometer, Thermoluminescent dosimeter (TLD), and solid state nuclear track detector (SSNTD)-LR115 and CR-39

Licenses and Certifications

1) LFS101x.2: Introduction to Linux, a course of study offered by Linux Foundation X.

2) Python for Data Science and Machine Learning Bootcamp

Publications

1) Dinesh Thapa, and Seong Gon-Kim; Lattice engineering novel 2D monolayer in zinc pnictides, Published ASAP
in ACS Omega, October 24, 2025. (https://pubs.acs.org/doi/10.1021/acsomega.5c05775)

2) Dinesh Thapa, Steven Westra, Victoria Oas, Dmitri Kilin, and Svetlana Kilina; Tunable Magnetic Order in Fe-Mg Codoped Montmorillonite Nanoclay Interfaced with Amino Acids, ACS Omega, January 10, 2025.
(https://pubs.acs.org/doi/full/10.1021/acsomega.4c06483)

3) Dinesh Thapa, Shambhu Bhandari Sharma, Dario Alfe, Dmitri Kilin, and Svetlana Kilina; Signature of low dimensional
quasi-F center in zirconium rich electrides. Materials Horizon, Royal Society of Chemistry, 2024, 11, 3613-3622.
(https://pubs.rsc.org/en/content/articlehtml/2024/mh/d4mh00437j)

4) Chan-young Lim, Sunghun Kim, Yeonghoon Lee, Jaehoon Cha, Gyubin Lee, Dong Cheol Lim, Dinesh Thapa, Jonathan D. Denlinger, Seong-Gon Kim, Sung Wng Kim, Yeongkwan Kim; Topological Fermi arc surface state covered by floating electrons on two-dimensional electride. Nature Communications, Article number: 5615, July 2024 . (https://www.nature.com/articles/s41467-024-49841-6)

5) Sunghun Kim, Joonho Bang, Chan-young Lim, Seung Yong Lee, Jounghoon Hyun, Gyubin Lee, Yeonghoon Lee, Jonathan D. Denlinger, Soonsang Huh, Changyoung Kim, Sang Yong Song, Jungpil Seo, Dinesh Thapa, Seong-Gon
Kim, Young Hee Lee, Yeongkwan Kim, and Sung Wng Kim; Quantum electron liquid and its possible phase transition; Nature Materials, 2022, September 29. (https://www.nature.com/articles/s41563-022-01353-8)

6) Seok Joon Yun*, Byeong Wook Cho*, Dinesh Thapa*, Dae Hee Yang, Yong In Kim, Young-Min Kim, Dinh Loc Duong, Ki Kang Kim, Seong-Gon Kim, and Young Hee Lee; Escalating ferromagnetic order via Se-vacancy near vanadium in WSe2; Advanced Materials, 2021 Dec 28:e2106551. (*) represents equal contributibution.
(https://onlinelibrary.wiley.com/doi/epdf/10.1002/adma.202106551)

7) Se Hwang Kang*, Dinesh Thapa*, Binod Regmi, Siyuan Ren, Young-Min Kim, Seong-Gon Kim, and Sung Wng Kim; Chemically stable low-dimensional electrides in transition metal-rich monochalcogenides: theoretical and experimental explorations; Journal of American Chemical Society (JACS), 2022, March 03. (*) represents equal contribution. (https://pubs.acs.org/doi/abs/10.1021/jacs.1c12367)

8) Seung Young Lee, Joonho Bang, Hyun Yong Song, Byung Il Yoo, Yeongkwan Kim, Kimoon Lee, Dinesh Thapa, Seong-Gon Kim, and Sung Wng Kim; Mixed-cation driven magnetic interaction of interstitial electrons for ferrimagnetic two- dimensional electride, npj Quantum Materials, 6, 21, 2021. (https://doi.org/10.1038/s41535-021-00319-4)

9) Kyungwha Chung, Joonho Bang, Athira Thacharon, Hyun Yong Song, Se Hwang Kang, Woo-Sung Jang, Dinesh Thapa, C. Muhammed Ajmal, Bumsub Song, Sung-Gyu Lee, Zhen Wang, Albina Jetybayeva, Seungbum Hong, Kyu Hyoung Lee, Eun Jin Cho, Seunghyun Baik, Sang Ho Oh, Young-Min Kim, Young Hee Lee, Seong-Gon Kim, and Sung Wng Kim, Non-oxidized bare copper nanoparticles in air, Nature Nanotechnology, 2022.
(https://www.nature.com/articles/s41565-021-01070-4)

10) Hyun Yong Song, Byung Il Yoo, Jin-Ho Choi, Se-Hwang Kang, Joonho Bang, Wei Li, Chandani N. Nandadasa, Dinesh Thapa, Myung Joon Han, Seong Gon Kim, Kimoon Lee, and Sung Wng Kim; Van der Waals electride: Toward intrinsic two-dimensional ferromagnetism of spin-polarized anionic electrons, Science Direct, Materials Today Physics, 20, 100473, 2021. (https://doi.org/10.1016/j.mtphys.2021.100473)

11) Vivek Dixit, Dinesh Thapa, Bipin Lamichhane, Chandani N. Nandadasa, Yang-Ki Hong, and Seong-Gon Kim; Site preference and magnetic properties of Zn-Sn-substituted strontium hexaferrite, Journal of Applied Physics 125, 173901, 2019. (https://aip.scitation.org/doi/10.1063/1.5084762)

12) Deependra Das Mulmi, Dinesh Thapa, Biplav Dahal, Dinesh Baral, and Pratima R. Solanki;Spectroscopic Studies of Boron Doped Titanium Dioxide Nanoparticles, International Journal of Material Science and Engineering (IJMSE), Volume 4, Number 3, September, 172-178, 2016.(http://www.ijmse.net/uploadfile/2016/1214/20161214052559646.pdf)

13) Dinesh Thapa, Ram Bharosh Sahu, Prakash Parajuli, and Buddha Ram Shah; Study of Power Density Transmitted from Cellular Base Station Towers of Nepal Telecom in Biratnagar Sub-Metropolitan city, International Journal of Applied Sciences and Biotechnology (IJASBT), 4(3), 338-345, 2016. (https://www.nepjol.info/index.php/IJASBT/article/view/15767/12721RL)

14) Prakash Parajuli, Dinesh Thapa, and Buddha Ram Shah; Assessment of Residential Radon Concentration in the Dwellings near Sisdol Landfill Site Using Solid State Nuclear Track Detector (SSNTD), International Journal of Applied Research (IJAR), 2(7): 425-427, 2016. (https://www.researchgate.net/publication/305503201)

15) Acharya Arjun, Thapa Dinesh, Chalise Gita, and Paudel Sharma; Study of Computed Tomography Measurement of the Diameter of Abdominal Aorta in Nepalese, International Journal of Clinical and Biomedical Research (IJCBR), Vol 1(2), 2015. (https://www.ijcbr.com/index.php/ijcbr/article/view/52/79)

16) Shah Buddha R, Thapa Dinesh, Mulmi Deependra D, and Dahal Kul P; Indoor Radon Survey in Nepal Using Passive Technique Solid State Nuclear Track Detector, International Journal of Clinical and Biomedical Research (IJCBR), ISSN: 2395-0471, Vol 1(4), 2015. https://www.ijcbr.com/index.php/ijcbr/article/view/86/113

17) P. Parajuli, D. Thapa, and B. R. Shah; Study of Radon Exhalation Rate in Soil Samples of Kathmandu Valley Using Passive Detector LR115, International Journal of Chemical and Physical Sciences (IJCPS), ISSN: 2319-6602, Vol 4(4), 2015. (https://www.ijcps.org/0Site/v4n4.html) 

18) O. B. Khanal, D. Thapa, B. R. Shah, D. D. Mulmi, A. Shah, K. Adhikari, and S. K. Aryal; Study of the Exposure Rate from the Patients Injected with Radiopharmaceutical, International Journal of Applied Sciences and Biotechnology (IJASB), Vol 2 (3):336-341, 2014. (https://www.nepjol.info/index.php/IJASBT/article/view/10972/9027)

19) Dinesh Thapa, and Buddha Ram shah; Residential Radon Concentrations in Kathmandu Valley Using Solid
State Nuclear Track Detectors, Master proceedings of American Association of Radon Scientists and Technologists
(AARST), 2014.

20) Chandra M. Adhikari, Dinesh Thapa, Talon D. Alexander, Christopher K. Addaman, Shubo Han, Bishnu P. Bastakoti,
Daniel E. Autrey, Svetlana Kilina, Binod K. Rai, and Bhoj R. Gautam; Confinement of quasi-atomic structures in
Ti2N and Ti3N2 MXene Electrides. (https://arxiv.org/pdf/2408.00897)

21) Binod Regmi, Dinesh Thapa, Bipin Lamichhane, and Seong-Gon Kim; First-principles prediction of structural, magnetic properties of Cr-substituted strontium hexaferrite, and its site preference; arXiv.org.
(https://arxiv.org/abs/2306.11952)

Additional Information

CONFERENCE & SYMPOSIUM PRESENTATIONS

1) Dinesh Thapa, Sumon Hati, Svetlana Kilina, and Rajesh Sardar; Ultralow workfunction modulation via interfacial dipole formation in gold metal organic framework, ANPA Conference 2025, July 17-20, Fairmont State University, West Virginia.

2) Dinesh Thapa; Optical Trion Trapping on sp3 Defect SingleWalled Carbon Nanotube (SWCNT), Association of Nepalese Physicists in America (ANPA) conference, July 14-16, 2023.

3) Dinesh Thapa, and Svetlana Kilina; Optical Generation of Trions in Chemically Tweaked Single Walled Carbon Nanotubes, Workshop on Nanomaterials: Computation, Theory, Machine Learning and Experiment, June 10-14, 2023, Telluride Intermediate School, 725 W Colorado Ave, Telluride, CO 81435.

4) Dinesh Thapa, and Svetlana Kilina; Singlet-Triplet Excitonic Properties in Aryl Functionalized Single Walled Carbon Nanotube (SWCNT), 2023 Red River Valley, ACS Research Conference, January 27-28, Concordia College, Moorhead, Minnesota.

5) Dinesh Thapa, Halley Wood, and Svetlana Kilina; Singlet and triplet lowest excitons in covalently functionalized (11,0) single walled carbon nanotube, NERM-2022, October 2-5, Rochester Riverside Convention Center and the Hyatt Regency, Rochester NY.

6) Dinesh Thapa, and Svetlana Kilina; Effect of selective aryl functionalization on singlet and triplet lowest excitons in (11,0) carbon nanotube, 8th Workshop on Nanotube Optics and Nanospectroscopy (WONTON), July 24-28, 2022, University of Wisconsin-Madison.

7) Braden Weight, Dinesh Thapa, and Svetlana Kilina;Covalent defects in carbon nanotubes: effect of defect-defect interaction and its polarity, 8th Workshop on Nanotube Optics and Nanospectroscopy (WONTON), July 24-28, 2022, University of Wisconsin-Madison.

8) Dinesh Thapa, and Svetlana Kilina; Interactions of amino acids on Fe-Mg doped montmorillonite clay surfaces and its implications for electro-magnetic and biomedical applications, Poster presentation in Hybrid ND EPSCoR 2022 State Conference: April 6, 2022, University of North Dakota, Grand Forks, ND.

9) Steven Westra, Dinesh Thapa, and Svetlana Kilina; Interaction of amino acids on montmorillonite clay surfaces and its effect on electromagnetic and biomedical properties, Poster presentation in 611st Sanibel Symposium: The theory meeting for theoreticians, February 13-18, 2022, St. Simons Island, GA.

10) Dinesh Thapa, Bipin Lamichhane, Chandani Nandadasa, Junseong Song, Sung Wng Kim, Kimoon Lee, Seong-Gon Kim; Engineering 2D monolayer structures in II-V binary Zintl-phase compounds ZnX (X = As, Sb, Bi, Virtual presentation APS March Meeting 2021.

11) Dinesh Thapa, Bipin Lamichhane, Chandani Nandadasa, Junseong Song, Sung Wng Kim, Seong-Gon Kim; An abinitio study of structural, electronic, and bonding properties of layer-structured ZnSb, Abstract submitted in APS March Meeting, 2020, Denver, Colorado.

12) Chandani Nandadasa, Bipin Lamichhane, Dinesh Thapa, Minyeong Choi, Yang-Ki Hong, Seong-Gon Kim; First principle study of structural, electronic and magnetic properties of layer-structured MnSb, Abstract submitted in APS March Meeting, 2020, Denver, Colorado.

13) Bipin Lamichhane, Dinesh Thapa, Chandani Nandadasa, Junseong Song, Sung Wng Kim, Seong-Gon Kim; Effect of Co, Ni, and Co-Ni doping on magnetic and electronic properties of MnBi by first-principles calculations, Abstract submitted in APS March Meeting, 2020, Denver, Colorado.

14) Dinesh Thapa; An ab-initio study of structural, electronic, and bonding properties of layer-structured ZnSb, Invited talk in Association of Nepali Physicists in America (ANPA), March 2020.

15) Dinesh Thapa; First Principle Investigation of Surface Electronic Properties of Two-Dimensional Gd2C Electride, 17th Annual Graduate Research Symposium, October 5, 2019, McCool Hall, Mississippi State University.

16) Dinesh Thapa; First Principle Investigation of Surface Electronic Properties of Two-Dimensional Gd2C Electride, 4th Annual UM-MSU Joint Physics Research Symposium held on 23 March 2019 at Hilbun Hall, Department of Physics and Astronomy, Mississippi State University.

17) Dinesh Thapa; An ab-initio calculation of band structure of Lithium based compounds, THREE MINUTE THESIS COMPETITION (3MT), November 15, 2017, Colvard Student Auditorium, Mississippi State University.

18) Dinesh Thapa; Assessment of Indoor Radon Concentration in the Dwellings using Solid State Nuclear Track Detector (SSNTD), 2nd UM-MSU Joint Physics Research Symposium held on 4th March, 2017 at The High Performance Computing Collaboratory (HPC²), Mississippi State University.

19) Dinesh Thapa; Study of spectroscopic properties and test of biocompatibility in Boron doped TiO2 nanoparticle,
1st Annual UM-MSU Joint Physics Research Symposium held on 27 February 2016 at National Center for Physical Acoustics, University of Mississippi.

20) Om Bhadra Khanal, and Dinesh Thapa; Study of the Exposure Rate from the Patients Injected with Radiopharmaceutical, Oral presentation in IInd International Conference on Medical Materials, Devices and Regenerative Medicine (MMDRM – 2014), organized by College of Biomedical Engineering and Applied Sciences on January 11-13, 2014, Kathmandu, Nepal.

21) Buddha Ram Shah, and Dinesh Thapa; Residential Radon Concentration in Kathmandu Valley Using Solid State Nuclear Track Detector, Satellite Presentation in International Radon Symposium, Charleston, South Carolina, USA,
Sep. 18th –Oct. 1st, 2014, organized by American Association of Radon Scientist and Technologist (AARST).

22) Dinesh Thapa; Assessment of Radon (222Rn) and its Progeny Level in the Dwellings of Kathmandu Valley Using Solid State Nuclear Track Detector (SSNTD), Nepal Academy of Science and Technology (NAST), Lalitpur, Nepal,
2013.

Employee Roles
Departments Positions Titles
Mathematics & Physics Faculty Assistant Professor

Back to Home