متابعة
Michele Invernizzi
Michele Invernizzi
Computational Scientist, Peptone
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عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
Promoting transparency and reproducibility in enhanced molecular simulations‏
Nature methods 16 (8), 670-673, 2019‏
8382019
Rethinking metadynamics: from bias potentials to probability distributions‏
M Invernizzi, M Parrinello‏
The journal of physical chemistry letters 11 (7), 2731-2736, 2020‏
2222020
Molecular dynamics simulations of liquid silica crystallization‏
H Niu, PM Piaggi, M Invernizzi, M Parrinello‏
Proceedings of the National Academy of Sciences 115 (21), 5348-5352, 2018‏
1212018
Unified approach to enhanced sampling‏
M Invernizzi, PM Piaggi, M Parrinello‏
Physical Review X 10 (4), 041034, 2020‏
1162020
A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI3‏
P Ahlawat, A Hinderhofer, EA Alharbi, H Lu, A Ummadisingu, H Niu, ...‏
Science Advances 7 (17), eabe3326, 2021‏
762021
Exploration vs convergence speed in adaptive-bias enhanced sampling‏
M Invernizzi, M Parrinello‏
Journal of Chemical Theory and Computation 18 (6), 3988-3996, 2022‏
742022
Rare event kinetics from adaptive bias enhanced sampling‏
D Ray, N Ansari, V Rizzi, M Invernizzi, M Parrinello‏
Journal of Chemical Theory and Computation 18 (11), 6500-6509, 2022‏
452022
Path integral molecular dynamics for fermions: Alleviating the sign problem with the Bogoliubov inequality‏
B Hirshberg, M Invernizzi, M Parrinello‏
The Journal of chemical physics 152 (17), 2020‏
442020
Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration‏
T Dornheim, M Invernizzi, J Vorberger, B Hirshberg‏
The Journal of Chemical Physics 153 (23), 2020‏
432020
Skipping the replica exchange ladder with normalizing flows‏
M Invernizzi, A Krämer, C Clementi, F Noé‏
The Journal of Physical Chemistry Letters 13 (50), 11643-11649, 2022‏
422022
Superlubric-pinned transition in sliding incommensurate colloidal monolayers‏
D Mandelli, A Vanossi, M Invernizzi, S Paronuzzi, N Manini, E Tosatti‏
Physical Review B 92 (13), 134306, 2015‏
412015
Making the best of a bad situation: A multiscale approach to free energy calculation‏
M Invernizzi, M Parrinello‏
Journal of chemical theory and computation 15 (4), 2187-2194, 2019‏
372019
Collective variables for the study of crystallisation‏
T Karmakar, M Invernizzi, V Rizzi, M Parrinello‏
Molecular Physics 119 (19-20), e1893848, 2021‏
342021
Coarse graining from variationally enhanced sampling applied to the Ginzburg–Landau model‏
M Invernizzi, O Valsson, M Parrinello‏
Proceedings of the National Academy of Sciences 114 (13), 3370-3374, 2017‏
332017
Enhanced sampling of transition states‏
J Debnath, M Invernizzi, M Parrinello‏
Journal of chemical theory and computation 15 (4), 2454-2459, 2019‏
292019
Rigid body flows for sampling molecular crystal structures‏
J Köhler, M Invernizzi, P De Haan, F Noé‏
Proceedings of the 40th International Conference on Machine Learning 202 …, 2023‏
222023
OPES: On-the-fly Probability Enhanced Sampling Method‏
M Invernizzi‏
Il Nuovo Cimento C 44 (4), 112, 2021‏
132021
Efficient mapping of phase diagrams with conditional Boltzmann Generators‏
M Schebek, M Invernizzi, F Noé, J Rogal‏
Machine Learning: Science and Technology 5 (4), 045045, 2024‏
6*2024
Advanced simulations with PLUMED: OPES and machine learning collective variables‏
E Trizio, A Rizzi, PM Piaggi, M Invernizzi, L Bonati‏
arXiv preprint arXiv:2410.18019, 2024‏
52024
PLUMED tutorials: A collaborative, community-driven learning ecosystem‏
GA Tribello, M Bonomi, G Bussi, C Camilloni, BI Armstrong, A Arsiccio, ...‏
The Journal of Chemical Physics 162 (9), 2025‏
32025
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مقالات 1–20