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Alexandre Tkatchenko
Researcher at University of Luxembourg
Publications - 298
Citations - 36119
Alexandre Tkatchenko is an academic researcher from University of Luxembourg. The author has contributed to research in topics: van der Waals force & Density functional theory. The author has an hindex of 77, co-authored 271 publications receiving 26863 citations. Previous affiliations of Alexandre Tkatchenko include Max Planck Society & Rafael Advanced Defense Systems.
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Proceedings ArticleDOI
Strong local-field enhancement of the nonlinear softmode response in aspirin
Giulia Folpini,Klaus Reimann,Michael Woerner,Thomas Elsaesser,Johannes Hoja,Alexandre Tkatchenko +5 more
TL;DR: In this article, softmode excitations in aspirin were studied with two-dimensional terahertz spectroscopy, and the coupling of CH 3 rotational modes and collective excitations of π electrons resulted in a nonperturbative nonlinear response induced by moderate THz fields.
Journal ArticleDOI
The three-center two-positron bond
Jorge Charry,Félix Moncada,Matteo Barborini,Laura Pedraza-González,Márcio T. do N. Varella,Alexandre Tkatchenko,Andrés Reyes +6 more
TL;DR: In this article , the authors performed a preliminary scan of the potential energy surface of the system with both electrons and positrons in a spin singlet state, with a multi-component MP2 method, that was further refined with variational and diffusion Monte Carlo calculations and confirmed an equilibrium geometry with D3h symmetry.
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Constructing Effective Machine Learning Models for the Sciences: A Multidisciplinary Perspective
TL;DR: In this paper , the authors discuss how to recognize this before constructing a data-driven model and how such analysis can help us move to intrinsically interpretable regression models and demonstrate why improvements may be seen with more complex regression models.
Journal ArticleDOI
Optimized Quantum Drude Oscillators for Atomic and Molecular Response Properties.
TL;DR: In this paper , the optimal mapping between atoms/molecules and oscillators has not been established, and an optimized parametrization (OQDO) where the parameters are fixed by using only dipolar properties is presented.
Phase Transitions in Abelian Lattice Gauge Theory: Production and Dissolution of Monopoles and Monopole-Antimonopole Pairs
TL;DR: In this article , the authors combine the microcanonical formulation of lattice gauge theories (LGTs) developed by Callaway and the micro-canonical inflection point analysis (MIPA) proposed by Bachmann et al. to achieve a systematic characterization of phase transitions (PTs) in U(1) lattice electrodynamics.