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Michele Invernizzi
Michele Invernizzi
Computational Scientist, Peptone Ltd
Verified email at peptone.io - Homepage
Title
Cited by
Cited by
Year
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
6862019
Rethinking metadynamics: from bias potentials to probability distributions
M Invernizzi, M Parrinello
The journal of physical chemistry letters 11 (7), 2731-2736, 2020
1582020
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
1092018
Unified approach to enhanced sampling
M Invernizzi, PM Piaggi, M Parrinello
Physical Review X 10 (4), 041034, 2020
872020
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
612021
Exploration vs convergence speed in adaptive-bias enhanced sampling
M Invernizzi, M Parrinello
Journal of Chemical Theory and Computation 18 (6), 3988-3996, 2022
462022
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
372015
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
362020
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
352020
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
322017
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
312019
Collective variables for the study of crystallisation
T Karmakar, M Invernizzi, V Rizzi, M Parrinello
Molecular Physics 119 (19-20), e1893848, 2021
302021
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
262022
Enhanced sampling of transition states
J Debnath, M Invernizzi, M Parrinello
Journal of chemical theory and computation 15 (4), 2454-2459, 2019
252019
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
192022
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
152023
OPES: On-the-fly Probability Enhanced Sampling Method
M Invernizzi
Il Nuovo Cimento C 44 (4), 112, 2021
72021
Efficient mapping of phase diagrams with conditional normalizing flows
M Schebek, M Invernizzi, F Noé, J Rogal
arXiv preprint arXiv:2406.12378, 2024
2024
Improving Inverse Folding models at Protein Stability Prediction without additional Training or Data
O Dutton, S Bottaro, I Redl, M Invernizzi, A Chung, C Fisicaro, F Hoffmann, ...
bioRxiv, 2024.06. 15.599145, 2024
2024
Optimizing protein language models with Sentence Transformers
I Redl, F Airoldi, S Bottaro, A Chung, O Dutton, C Fisicaro, P Foerch, ...
37th Conference on Neural Information Processing Systems (NeurIPS), 2023
2023
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