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Pier Paolo Poier
Pier Paolo Poier
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Molecular, macromolecular, and supramolecular glucuronide prodrugs: Lead identified for anticancer prodrug monotherapy
MT Jarlstad Olesen, R Walther, PP Poier, F Dagnæs‐Hansen, AN Zelikin
Angewandte Chemie International Edition 59 (19), 7390-7396, 2020
342020
Describing molecular polarizability by a bond capacity model
PP Poier, F Jensen
Journal of chemical theory and computation 15 (5), 3093-3107, 2019
252019
Accurate deep learning-aided density-free strategy for many-body dispersion-corrected density functional theory
PP Poier, T Jaffrelot Inizan, O Adjoua, L Lagardere, JP Piquemal
The Journal of Physical Chemistry Letters 13 (19), 4381-4388, 2022
182022
Stochastic Evaluation of Many-Body van der Waals Energies in Large Complex Systems
PP Poier, L Lagardere, JP Piquemal
Journal of Chemical Theory and Computation 18 (3), 1633-1645, 2022
172022
Molecular dynamics using nonvariational polarizable force fields: Theory, periodic boundary conditions implementation, and application to the bond capacity model
PP Poier, L Lagardère, JP Piquemal, F Jensen
Journal of Chemical Theory and Computation 15 (11), 6213-6224, 2019
162019
Including implicit solvation in the bond capacity polarization model
PP Poier, F Jensen
The Journal of Chemical Physics 151 (11), 2019
102019
Polarizable charges in a generalized Born reaction potential
PP Poier, F Jensen
The Journal of Chemical Physics 153 (2), 2020
72020
Generalized many-body dispersion correction through random-phase approximation for chemically accurate density functional theory
PP Poier, O Adjoua, L Lagardère, JP Piquemal
The Journal of Physical Chemistry Letters 14 (6), 1609-1617, 2023
62023
Smooth particle mesh Ewald-integrated stochastic Lanczos many-body dispersion algorithm
PP Poier, L Lagardère, JP Piquemal
The Journal of Chemical Physics 159 (15), 2023
12023
Variational formulation of the bond capacity charge polarization model
PP Poier
The Journal of Chemical Physics 156 (10), 2022
12022
Accurate Deep Learning-aided Density-free Strategy for Many-Body Dispersion-corrected DFT
PP Poier, TJ Inizan, O Adjoua, L Lagardere, JP Piquemal
arXiv preprint arXiv:2203.15739, 2022
2022
Formulation and Development of a Novel Bond Capacity Charge Polarization Model
PP Poier
2020
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Artikler 1–12