Area of research
Materials Chemistry · Atomic and Molecular Physics, and Optics
Research interest
Research interests include Machine Learning in Materials Science, Spectroscopy and Quantum Chemical Studies, Electrochemical Analysis and Applications, and Plasmonic and Surface Plasmon Research.
Atomate2: modular workflows for materials science
BEAST DB: Grand-Canonical Database of Electrocatalyst Properties
Spin Dynamics in Hybrid Halide Perovskites - Effect of Dynamical and Permanent Symmetry Breaking
Topological Metal MoP Nanowire for Interconnect
Nanomolding of Two-Dimensional Materials
Effect of the density of states at the Fermi level on defect free energies and superconductivity: A case study of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Nb</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi>Sn</mml:mi></mml:mrow></mml:math>
A chiral switchable photovoltaic ferroelectric 1D perovskite
Lead-related quantum emitters in diamond
Dynamics and Spin-Valley Locking Effects in Monolayer Transition Metal Dichalcogenides
Plasmonic hot electron transport drives nano-localized chemistry
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry
Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems