Lionel A. Truflandier

Large scale and linear scaling DFT with the CONQUEST code

Ayako Nakata, Jack S. Baker, Shereif Y. Mujahed et al. · The Journal of Chemical Physics · 2020 · 116 citations · Full text

Natural Sciences, High-performance Computing, Physics +13

Roadmap on electronic structure codes in the exascale era

Vikram Gavini, Stefano Baroni, Volker Blüm et al. · Modelling and Simulation in Materials Science and Engineering · 2023 · 72 citations · Full text

Natural Sciences, Chemistry, High-performance Computing +14

²⁹Si DFT/NMR Observation of Spin–Orbit Effect in Metallasilatrane Sheds Some Light on the Strength of the Metal→Silicon Interaction

Lionel A. Truflandier, Erica Brendler, Jörg Wagler et al. · Angewandte Chemie International Edition · 2010 · 71 citations

Natural Sciences, Chemistry, Physics +13

Probing the Solvent Shell with ¹⁹⁵Pt Chemical Shifts: Density Functional Theory Molecular Dynamics Study of Pt^II and Pt^IV Anionic Complexes in Aqueous Solution

Lionel A. Truflandier, Jochen Autschbach · Journal of the American Chemical Society · 2010 · 68 citations

Natural Sciences, Chemistry, Physics +17

Solvent Effects and Dynamic Averaging of ¹⁹⁵Pt NMR Shielding in Cisplatin Derivatives

Lionel A. Truflandier, Kiplangat Sutter, Jochen Autschbach · Inorganic Chemistry · 2011 · 64 citations

Natural Sciences, Chemistry, Physics +17