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Matteo Salvalaglio

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5

On the Reproducibility of Free Energy Surfaces in Machine-Learned Collective Variable Spaces

30 June 2025 by Florian Dietrich and Matteo Salvalaglio at

University College London

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Why Grain Growth is Not Curvature Flow

6 May 2025 by Caihao Qiu and others

Materials Science

Modeling dislocations in quasicrystals through amplitude equations

15 April 2025 by Marcello Donno and others

Materials Science, Mesoscale and Nanoscale Physics

On the Reproducibility of Free Energy Surfaces in Machine-Learned Collective Variable Spaces

11 April 2025 by Florian Dietrich and Matteo Salvalaglio at

University College London

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Unsupervised classification of local clathrate hydrate structures

10 April 2025 by Xinrui Cai and others at

Mullard Space Science Laboratory

Theoretical and Computational Chemistry, Physical Chemistry

Lattice free energies of molecular crystals using normalizing flow

8 April 2025 by Edgar Olehnovics and others at

Mullard Space Science Laboratory

Theoretical and Computational Chemistry, Physical Chemistry

On the Reproducibility of Free Energy Surfaces in Machine-Learned Collective Variable Spaces

11 March 2025 by Florian Dietrich and Matteo Salvalaglio at

University College London

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Inferring traits of hyperuniformity from local structures via persistent homology

21 February 2025 by Abel H. G. Milor and Marco Salvalaglio

Statistical Mechanics, Disordered Systems and Neural Networks

First Principles Assessment of Solvent Induced Cage Effects on Intramolecular Hydrogen Transfer in the Free Radical Polymerization of Acrylates

11 February 2025 by Francesco Serse and others at

Polytechnic University of Milan

Theoretical and Computational Chemistry, Chemical Engineering and Industrial Chemistry

A Gridless Approach to Sampling and Classifying High-Dimensional Conformational Landscapes of Active Pharmaceutical Ingredients

4 February 2025 by Alexandre Ferreira and others at

University College London

Theoretical and Computational Chemistry, Physical Chemistry

Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models

3 February 2025 by Edgar Olehnovics and others at

Mullard Space Science Laboratory

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Unveiling the Face-Dependent Ice Growth Kinetics: Insights from Molecular Dynamics on the Basal and Prism Surfaces

12 January 2025 by Jihong Shi and others at

King's College London

Materials Science, Soft Condensed Matter

Unidirectional motion of topological defects mediating continuous rotation processes

9 January 2025 by Marisel Di Pietro Martínez and others

Mesoscale and Nanoscale Physics

PLUMED Tutorials: a collaborative, community-driven learning ecosystem

29 November 2024 by Gareth Tribello and others

Physics Education, Chemical Physics

Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models

27 November 2024 by Edgar Olehnovics and others at

University College London

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Solution Thermodynamics of L-Glutamic Acid Polymorphs from Finite-Sized Molecular Dynamics Simulations

27 November 2024 by Fabienne Bachtiger and others

Theoretical and Computational Chemistry, Physical Chemistry

Phase-field Modelling of Anisotropic Solid-State Dewetting on Patterned Substrates

18 November 2024 by Emma Radice and others

Mesoscale and Nanoscale Physics

Stepwise kinetics of the Early-Stage Nucleation in Chiral Perovskites via Ab Initio Molecular Dynamics and Free- Energy Calculations

15 November 2024 by Adriana Pietropaolo and others

Materials Science

Mesoscale Field Theory for Quasicrystals

14 November 2024 by Marcello Donno and others

Mesoscale and Nanoscale Physics, Materials Science

Towards Predictive Models of Acrylates Free Radical Polymerization in Solution: The Key Role of Solvent-induced Cage Effects

7 November 2024 by Francesco Serse and others at

Polytechnic University of Milan

Theoretical and Computational Chemistry, Chemical Engineering and Industrial Chemistry

Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models

23 October 2024 by Edgar Olehnovics and others at

Mullard Space Science Laboratory

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

A Non-Isothermal Phase-Field Crystal Model with Lattice Expansion: Analysis and Benchmarks

29 August 2024 by Maik Punke and others

Materials Science, Mesoscale and Nanoscale Physics

Mesoscale modeling of deformations and defects in thin crystalline sheets

15 August 2024 by Lucas Benoit-Maréchal and others

Materials Science, Mesoscale and Nanoscale Physics

Hybrid-PFC: coupling the phase-field crystal model and its amplitude-equation formulation

24 July 2024 by Maik Punke and Marco Salvalaglio

Materials Science, Computational Physics

Solution Thermodynamics of L-Glutamic Acid Polymorphs from Finite-Sized Molecular Dynamics Simulations

9 July 2024 by Fabienne Bachtiger and others

Theoretical and Computational Chemistry, Physical Chemistry

Assessing the accuracy and efficiency of free energy differences obtained from reweighted flow-based probabilistic generative models

25 June 2024 by Edgar Olehnovics and others at

University College London

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Assessing the accuracy and efficiency of free energy differences obtained from reweighted flow-based probabilistic generative models

13 June 2024 by Edgar Olehnovics and others at

Mullard Space Science Laboratory

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Estimating Free Energy Surfaces and their Convergence from multiple, independent static and history-dependent biased molecular-dynamics simulations with Mean Force Integration.

23 April 2024 by Antoniu Bjola and Matteo Salvalaglio at

University College London

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Assessing the accuracy and efficiency of free energy differences obtained from reweighted flow-based probabilistic generative models

22 April 2024 by Edgar Olehnovics and others at

University College London

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Unveiling solvent effects on β-scissions through Metadynamics and Mean Force Integration

10 April 2024 by Francesco Serse and others at

Mullard Space Science Laboratory

Theoretical and Computational Chemistry, Physical Chemistry

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