:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Mandelli, Davide, Parrinello, Michele
Format:	Preprint
Published:	2021
Subjects:	Computational Physics
Online Access:	https://arxiv.org/abs/2106.06275
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Effective Data-Driven Collective Variables for Free Energy Calculations from Metadynamics of Paths
by: Müllender, Lukas, et al.
Published: (2023)

Scalable cell filter nudged elastic band (CFNEB) for large-scale transition-path calculations
by: Jia, Qiuhan, et al.
Published: (2025)

From enhanced sampling to reaction profiles
by: Trizio, Enrico, et al.
Published: (2021)

Ceci n'est pas un committor, yet it samples like one: efficient sampling via approximated committor functions
by: Trizio, Enrico, et al.
Published: (2026)

Extreme scaling of the metadynamics of paths algorithm on the pre-exascale JUWELS Booster supercomputer
by: Malapally, Nitin, et al.
Published: (2025)

Everything everywhere all at once: a probability-based enhanced sampling approach to rare events
by: Trizio, Enrico, et al.
Published: (2024)

Computing the Committor with the Committor: an Anatomy of the Transition State Ensemble
by: Kang, Peilin, et al.
Published: (2024)

Structure and polymerization of liquid sulfur across the $λ$-transition
by: Yang, Manyi, et al.
Published: (2023)

The role of fluctuations in the nucleation process
by: Deng, Yuanpeng, et al.
Published: (2025)

Committors without Descriptors
by: Kang, Peilin, et al.
Published: (2025)

Electrochemical Interfaces at Constant Potential: Data-Efficient Transfer Learning for Machine-Learning-Based Molecular Dynamics
by: Bianchi, Michele Giovanni, et al.
Published: (2025)

Scalability of 3D-DFT by block tensor-matrix multiplication on the JUWELS Cluster
by: Malapally, Nitin, et al.
Published: (2023)

Fast and Fourier Features for Transfer Learning of Interatomic Potentials
by: Novelli, Pietro, et al.
Published: (2025)

Descriptors-free Collective Variables From Geometric Graph Neural Networks
by: Zhang, Jintu, et al.
Published: (2024)

The seeds of the future are in the present: A blind exploration of metastable states
by: Devergne, Timothée, et al.
Published: (2025)

Nudged elastic band calculations of stacking and dislocation pathways in diamond
by: Chi, Chunxia, et al.
Published: (2025)

Hybrid ensemble forecasting combining physics-based and machine-learning predictions through spectral nudging
by: Polichtchouk, Inna, et al.
Published: (2026)

From Biased to Unbiased Dynamics: An Infinitesimal Generator Approach
by: Devergne, Timothée, et al.
Published: (2024)

On the inadequacy of nudging data assimilation algorithms for non-dissipative systems
by: Titi, Edriss S., et al.
Published: (2024)

A differentiable quantum phase estimation algorithm
by: Castaldo, Davide, et al.
Published: (2024)

An additive Mori-Tanaka scheme for elastic-viscoplastic composites based on a modified tangent linearization
by: Kowalczyk-Gajewska, Katarzyna, et al.
Published: (2024)

Intramolecular and water mediated tautomerism of solvated glycine
by: Zhang, Pengchao, et al.
Published: (2023)

Peak finding algorithm for cluster counting with domain adaptation
by: Zhao, Guang, et al.
Published: (2024)

Parallelization of Gillespie algorithm based on binary words
by: Lacoste, David, et al.
Published: (2024)

A modified recursive transfer matrix algorithm for radiation and scattering computation of a multilayer sphere
by: Zhang, Jianing
Published: (2024)

Transfer learning for atomistic simulations using GNNs and kernel mean embeddings
by: Falk, John, et al.
Published: (2023)

$p$-adaptive algorithms in Discontinuous Galerkin solutions to the time-domain Maxwell's equations
by: Tiwari, Apurva, et al.
Published: (2022)

Physics-based r-adaptive algorithms for high-speed flows and plasma simulations
by: Ameur, Firas Ben, et al.
Published: (2018)

One-loop elastic amplitudes from tree-level elasticity in 2d
by: Fabri, Matheus, et al.
Published: (2024)

Depolarization of opinions on social networks through random nudges
by: Pal, Ritam, et al.
Published: (2022)

Bifurcations of an elastic disc coated with an elastic inextensible rod
by: Gaibotti, Matteo, et al.
Published: (2024)

A quantum segmentation algorithm based on local adaptive threshold for NEQR image
by: Wang, Lu, et al.
Published: (2023)

The isogeometric boundary element algorithm for solving the plane strain problem of an elastic matrix containing an open material surface of arbitrary shape
by: Patil, Rohit Satish, et al.
Published: (2025)

Indenting fractal-edged elastic materials
by: Costa, D. F. S., et al.
Published: (2024)

Embedding independent length scale of flat bands
by: Lee, Seokju, et al.
Published: (2025)

Low-Scaling algorithms for $GW$ and constrained random phase approximation using symmetry-adapted interpolative separable density fitting
by: Yeh, Chia-Nan, et al.
Published: (2024)

Geometry and dynamics of spring networks of spherical topology
by: Yao, Zhenwei
Published: (2025)

Ultrasonic characterization of generally anisotropic elasticity implementing optimal zeroth-order elastic bounds and a wave-fitting approach
by: Cowes, Diego, et al.
Published: (2026)

Homogenization of elastic grids containing rigid elements
by: Viviani, Luca, et al.
Published: (2024)

Singular flat bands in the modified Haldane-Dice model
by: Filusch, Alexander, et al.
Published: (2023)