Michele Invernizzi

Peptcell (United Kingdom) — United Kingdom

Biochemistry, Genetics and Molecular Biology · Life Sciences

13h-index2.3kcitations38works8.22yr avg
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Research Topics

Protein Structure and Dynamics(8), Theoretical and Computational Physics(6), Perovskite Materials and Applications(4), Material Dynamics and Properties(4), Machine Learning in Materials Science(4)

Publications38 total

Advancing Protein Ensemble Predictions Across the Order–Disorder Continuum
2025· 5 citedOpen Access
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
The Journal of Chemical Physics·2025· 24 citedOpen Access
PLUMED Tutorials: a collaborative, community-driven learning ecosystem
Research Portal (Queen's University Belfast)·2024· 2 citedOpen Access
Advanced simulations with PLUMED: OPES and Machine Learning Collective Variables
arXiv (Cornell University)·2024· 8 citedOpen Access
Efficient mapping of phase diagrams with conditional Boltzmann Generators
Machine Learning Science and Technology·2024· 7 citedOpen Access
Improving Inverse Folding models at Protein Stability Prediction without additional Training or Data
2024· 3 citedOpen Access
Rigid Body Flows for Sampling Molecular Crystal Structures
arXiv (Cornell University)·2023· 10 citedOpen Access
Skipping the Replica Exchange Ladder with Normalizing Flows
The Journal of Physical Chemistry Letters·2022· 32 cited
Unbiased simulation of Alanine Dipeptide in gas phase
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Unbiased simulation of Alanine Dipeptide in gas phase
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Skipping the Replica Exchange Ladder with Normalizing Flows
arXiv (Cornell University)·2022Open Access
Rare Event Kinetics from Adaptive Bias Enhanced Sampling
Journal of Chemical Theory and Computation·2022· 72 cited
Rare Event Kinetics from Adaptive Bias Enhanced Sampling
arXiv (Cornell University)·2022Open Access
Exploration vs Convergence Speed in Adaptive-Bias Enhanced Sampling
Journal of Chemical Theory and Computation·2022· 3 citedOpen Access
Supporting molecular simulations data for "A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI3"
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI <sub>3</sub>
Science Advances·2021· 83 citedOpen Access
Multithermal-multibaric ensembles from collective-variables-based enhanced sampling methods
Bulletin of the American Physical Society·2021
Collective variables for the study of crystallisation
Molecular Physics·2021· 43 citedOpen Access
Correction to “Rethinking Metadynamics: From Bias Potentials to Probability Distributions”
The Journal of Physical Chemistry Letters·2021
OPES: On-the-fly Probability Enhanced Sampling Method
2021· 3 citedOpen Access
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Frequent Co-authors

Michele Parrinello(22), Pablo M. Piaggi(7), Valerio Rizzi(7), Haiyang Niu(6), Ómar Valsson(4), Paramvir Ahlawat(4), Amita Ummadisingu(4), Shaik M. Zakeeruddin(4), Anders Hagfeldt(4), Michaël Grätzel(4), Ursula Röthlisberger(4), Dhiman Ray(4), Frank Noé(4), Massimiliano Bonomi(3), Giovanni Bussi(3), Carlo Camilloni(3), Gareth A. Tribello(3), Mattia Bernetti(3), Sandro Bottaro(3), Riccardo Capelli(3)