9 citations · 37 across the 17 of their papers we have counts for
7 papers · 1 filter
Knowledge Distillation of Noisy Force Labels for Improved Coarse-Grained Force Fields
Feranmi V. Olowookere, Sakib Matin, Aleksandra Pachalieva +2
Molecular dynamics simulations are an integral tool for studying the atomistic behavior of materials under diverse conditions. However, they can be computationally demanding in wal…
Reactive Chemistry at Unrestricted Coupled Cluster Level: High-throughput Calculations for Training Machine Learning Potentials
Alice E. A. Allen, Rui Li, Sakib Matin +8
Accurately modeling chemical reactions at the atomistic level requires high-level electronic structure theory due to the presence of unpaired electrons and the need to properly des…
Multi-fidelity learning for interatomic potentials: Low-level forces and high-level energies are all you need
Mitchell Messerly, Sakib Matin, Alice E. A. Allen +5
The promise of machine learning interatomic potentials (MLIPs) has led to an abundance of public quantum mechanical (QM) training datasets. The quality of an MLIP is directly limit…
Ensemble Knowledge Distillation for Machine Learning Interatomic Potentials
Sakib Matin, Emily Shinkle, Yulia Pimonova +5
The quality of machine learning interatomic potentials (MLIPs) strongly depends on the quantity of training data as well as the quantum chemistry (QC) level of theory used. Dataset…
Kitaev interaction and proximate higher-order skyrmion crystal in the triangular lattice van der Waals antiferromagnet NiI2
Chaebin Kim, Olivia Vilella, Youjin Lee +14
Topological spin textures, such as magnetic skyrmions, are a spectacular manifestation of magnetic frustration and anisotropy. Most known skyrmion systems are restricted to a topol…
Teacher-student training improves accuracy and efficiency of machine learning interatomic potentials
Sakib Matin, Alice E. A. Allen, Emily Shinkle +9
Machine learning interatomic potentials (MLIPs) are revolutionizing the field of molecular dynamics (MD) simulations. Recent MLIPs have tended towards more complex architectures tr…
Sunny.jl: A Julia Package for Spin Dynamics
David Dahlbom, Hao Zhang, Cole Miles +16
Sunny is a Julia package designed to serve the needs of the quantum magnetism community. It supports the specification of a very broad class of spin models and a diverse suite of n…