GUNDE, MIHA
GUNDE, MIHA
Istituto Officina dei Materiali - IOM -
Exploring potential energy surfaces to reach saddle points above convex regions
2024 Gunde, M.; Jay, A.; Poberznik, M.; Salles, N.; Richard, N.; Landa, G.; Mousseau, N.; Martin Samos Colomer, L.; Hemeryck, A.
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm
2024 Poberznik, M.; Gunde, M.; Salles, N.; Jay, A.; Hemeryck, A.; Richard, N.; Mousseau, N.; Martin-Samos, L.
SOFI: Finding point group symmetries in atomic clusters as finding the set of degenerate solutions in a shape-matching problem
2024 Gunde, M.; Salles, N.; Grisanti, L.; Martin Samos Colomer, L.; Hemeryck, A.
Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces
2022 Jay, A.; Gunde, M.; Salles, N.; Poberznik, M.; Martin Samos Colomer, L.; Richard, N.; Gironcoli, S. D.; Mousseau, N.; Hemeryck, A.
Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures[Formula presented]
2022 Gunde, M.; Salles, N.; Hemeryck, A.; Martin Samos Colomer, L.
IRA: A Shape Matching Approach for Recognition and Comparison of Generic Atomic Patterns
2021 Gunde, M.; Salles, N.; Hemeryck, A.; Martin Samos Colomer, L.
Finding Reaction Pathways and Transition States: r-ARTn and d-ARTn as an Efficient and Versatile Alternative to String Approaches
2020 Jay, Antoine; Huet, Christophe; Salles, Nicolas; Gunde, Miha; Martin-Samos, Layla; Richard, Nicolas; Landa, Georges; Goiffon, Vincent; De Gironcoli, Stefano; Hemeryck, Anne; Mousseau, Normand
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Exploring potential energy surfaces to reach saddle points above convex regions | 1-gen-2024 | Gunde, M.; Jay, A.; Poberznik, M.; Salles, N.; Richard, N.; Landa, G.; Mousseau, N.; Martin Samos Colomer, L.; Hemeryck, A. | |
| pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm | 1-gen-2024 | Poberznik, M.; Gunde, M.; Salles, N.; Jay, A.; Hemeryck, A.; Richard, N.; Mousseau, N.; Martin-Samos, L. | |
| SOFI: Finding point group symmetries in atomic clusters as finding the set of degenerate solutions in a shape-matching problem | 1-gen-2024 | Gunde, M.; Salles, N.; Grisanti, L.; Martin Samos Colomer, L.; Hemeryck, A. | |
| Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces | 1-gen-2022 | Jay, A.; Gunde, M.; Salles, N.; Poberznik, M.; Martin Samos Colomer, L.; Richard, N.; Gironcoli, S. D.; Mousseau, N.; Hemeryck, A. | |
| Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures[Formula presented] | 1-gen-2022 | Gunde, M.; Salles, N.; Hemeryck, A.; Martin Samos Colomer, L. | |
| IRA: A Shape Matching Approach for Recognition and Comparison of Generic Atomic Patterns | 1-gen-2021 | Gunde, M.; Salles, N.; Hemeryck, A.; Martin Samos Colomer, L. | |
| Finding Reaction Pathways and Transition States: r-ARTn and d-ARTn as an Efficient and Versatile Alternative to String Approaches | 1-gen-2020 | Jay, Antoine; Huet, Christophe; Salles, Nicolas; Gunde, Miha; Martin-Samos, Layla; Richard, Nicolas; Landa, Georges; Goiffon, Vincent; De Gironcoli, Stefano; Hemeryck, Anne; Mousseau, Normand |