Direct Nanoscale Mapping of Band Alignment in Single-Layer Semiconducting Lateral Heterojunctions
Nano Lett., ASAP Article (2026). Published online April 13, 2026.
Journal articles
Publications
Peer-reviewed work across 2D materials, density functional theory, embedding methods, high-harmonic generation, crystallographic tools, and quantum chemistry software.
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Publication and citation metrics from Google Scholar as of May 13, 2026.
11peer-reviewed papers
442+citations
8h-index
4cover or highly viewed features
Complete list
Peer-Reviewed Articles
Titles link to publisher or DOI pages wherever available.
Tailored Vapor Deposition Unlocks Large-Grain, Wafer-Scale Epitaxial Growth of 2D Magnetic CrCl3
Adv. Mater., e14405 (2026). † contributed equally.
Density Functional Theory for Molecular and Periodic Systems in TURBOMOLE: Theory, Implementation, and Applications
J. Phys. Chem. A 129, 39, 9062-9083 (2025). Highly Viewed ACS article.
Optical Gaps of Ionic Materials from GW/BSE-in-DFT and CC2-in-DFT
J. Chem. Theo. Comput. 20, 21, 9592-9605 (2024).
TURBOMOLE: Today and Tomorrow
J. Chem. Theo. Comput. 19, 20, 6859-6890 (2023). Highly Cited article.
Resonance Effect in Brunel Harmonic Generation in Thin Film Organic Semiconductors
Adv. Optical Mater. 2203070 (2023). Front cover and Top Viewed recognition.
Efficient Implementation of Density Functional Theory based Embedding for Molecular and Periodic Systems using Gaussian Basis Functions
J. Chem. Theo. Comput. 18, 11, 6892-6904 (2022). Supplementary cover and most-viewed article recognition.
Real-time time-dependent density functional theory using density fitting and the continuous fast multipole method
J. Comput. Chem. 41, 2573-2582 (2020).
CrysX: crystallographic tools for the Android platform
J. Appl. Cryst. 52, 1449-1454 (2019). Cover feature and top-downloaded article.
First-principles study of the structural and electronic properties of bulk ZnS and small ZnnSn nanoclusters in the framework of the DFT+U method
Phys. Rev. B 100, 045151 (2019).
DFT+U study of small ZnO nanoclusters
AIP Conf. Proc. 2142, 110025 (2019).
Covers and TOCs
Publication Visuals
Cover artworks and table-of-contents graphics associated with selected publications.
DFT-Based Embedding
Cover artwork for the periodic embedding implementation paper.
Embedding Workflows
Graphical abstract for frozen-density and projection-based embedding.
Brunel Harmonic Generation
Cover feature connected to HHG simulations and graphical design.
TPP HHG
Graphical abstract for Brunel harmonic generation in thin-film organic semiconductors.
TURBOMOLE Review
Visual summary for the broad TURBOMOLE methods review.
Optical Gaps
TOC graphic for GW/BSE-in-DFT and CC2-in-DFT optical gaps of ionic materials.
DFT in TURBOMOLE
Visual for the 2025 DFT review across molecular and periodic systems.
Computational Materials Science
Banner artwork for atomistic modeling and simulation workflows.