3.5k citations
- Helmholtz Institute JenaDE407 papers
- Centre National de la Recherche ScientifiqueFR249 papers
- GSI Helmholtz Centre for Heavy Ion ResearchDE169 papers
- California Institute of TechnologyUS161 papers
- Max Planck Institute for Gravitational PhysicsDE155 papers
- Pennsylvania State UniversityUS147 papers
- Fraunhofer Institute for Applied Optics and Precision EngineeringDE146 papers
- Australian National UniversityAU139 papers
- Max Planck Institute for AstronomyDE138 papers
- University of CambridgeGB138 papers
- Goddard Space Flight CenterUS119 papers
- Leibniz University HannoverDE115 papers
3,063 papers
Molecule-specific diffusion and desorption of interstellar ices on carbonaceous dust
Yi-Hsuan Chiu, Tushar Suhasaria, Cornelia Jäger +4
Interstellar ices form on dust grains in the coldest regions of molecular clouds and preserve key volatile reservoirs that could be incorporated into protoplanetary disks during st…
Machine-learning octet -type binary compounds across chemical space with domain knowledge of the interatomic bond
Rohan Kumar, Mariano D. Forti, Aakash A. Naik +2
The prediction of the structural stability of octet -type binary compounds is a classical materials informatics problem. The challenge is to capture the relative stability of 4…
MatBind: A Shared Embedding Space for Multimodal Materials Characterization
Le Yang, Anoop K. Chandran, Jona Östreicher +8
Fully characterizing a crystalline material requires integrating heterogeneous data sources -- atomic structures, diffraction patterns, electronic density of states, and natural la…
PIConGPU modeling of nanoplasma formation in helium nanodroplets irradiated by intense femtosecond laser pulses
Cristian Medina, Klaus Steiniger, Brian Edward Marre +15
Helium nanodroplets provide a unique and versatile platform for investigating strong-field-driven nanoplasma dynamics. In this work, we present large-scale, GPU-accelerated particl…
First detection of HDO ice in a protoplanetary disk
Alexey Potapov, Piyush Kalambkar, Jeroen Bouwman +4
Protoplanetary disks are the birthplace of planets and planetary systems. Investigating the molecular inventory of disks is key to linking the chemical evolution of the interstella…
It's All Connected: Topology-Aware Structural Graph Encoding Improves Performance on Polymer Prediction
H. Ibrahim Erdogan, Punith Raviswamy, Nikita Agrawal +5
Graph Neural Networks (GNNs) have achieved strong results in molecular property prediction, but polymers present distinct challenges: labeled datasets are scarce and small (typical…