952 citations · 3.4k across the 79 of their papers we have counts for
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MiAD: Mirage Atom Diffusion for De Novo Crystal Generation
Andrey Okhotin, Maksim Nakhodnov, Nikita Kazeev +3
In recent years, diffusion-based models have demonstrated exceptional performance in searching for simultaneously stable, unique, and novel (S.U.N.) crystalline materials. However,…
ML2B: Benchmarking LLMs on Cross-Lingual ML Pipeline Generation
Ekaterina Trofimova, Zosia Shamina, Maria Selifanova +7
We introduce ML2B, the first benchmark for evaluating cross-lingual task comprehension in end-to-end ML pipeline generation by large language models. Despite growing global AI adop…
Inverse Design of Broadband Antennas for Terahertz Devices Based on 2D Materials
M. Lukianov, A. Maevskiy, N. Kazeev +5
Terahertz (THz) technology, a cornerstone of next-generation high-speed communication and sensing, has long been hindered by impedance mismatch challenges that limit device perform…
Time-local stochastic equation of motion for solid ionic electrolytes
Aleksandr Rodin, Ben Andrew Olsen, Andrey Ustyuzhanin +1
Numerical studies of ionic motion through solid electrolytes commonly involve static nudged-elastic band (NEB) methods or costly \emph{ab initio} molecular dynamics (AIMD). Buildin…
Studies of Hadronic Showers in SND@LHC
LHC Collaboration
The SND@LHC experiment was built for observing neutrinos arising from LHC pp collisions. The detector consists of two sections: a target instrumented with SciFi modules and a hadro…
Multi-property directed generative design of inorganic materials through Wyckoff-augmented transfer learning
Shuya Yamazaki, Wei Nong, Ruiming Zhu +3
Accelerated materials discovery is an urgent demand to drive advancements in fields such as energy conversion, storage, and catalysis. Property-directed generative design has emerg…
Wyckoff Transformer: Generation of Symmetric Crystals
Nikita Kazeev, Wei Nong, Ignat Romanov +4
Crystal symmetry plays a fundamental role in determining its physical, chemical, and electronic properties such as electrical and thermal conductivity, optical and polarization beh…