Sergey Pozdnyakov

5PUBLICATIONS
13CO-AUTHORS
Theoretical quantum chemistryAdversarial machine learningData structures and algorithmsTheoretical and computational chemistry not elsewhere classifiedIntegrable systems (classical and quantum)
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Publications (5)

|Mar 12, 2026
A universal machine learning model for the electronic density of states.

Wei Bin How, Pol Febrer, Sanggyu Chong

|Jul 26, 2024
Wigner kernels: Body-ordered equivariant machine learning without a basis.

Filippo Bigi, Sergey N Pozdnyakov, Michele Ceriotti

|Aug 30, 2023
Local invertibility and sensitivity of atomic structure-feature mappings.

Sergey N Pozdnyakov, Liwei Zhang, Christoph Ortner

|Nov 08, 2022
Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions" [J. Chem. Phys. 156, 034302 (2022)].

Sergey N Pozdnyakov, Michael J Willatt, Albert P Bartók

|Jun 01, 2022
Unified theory of atom-centered representations and message-passing machine-learning schemes.

Jigyasa Nigam, Sergey Pozdnyakov, Guillaume Fraux

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Frequent Collaborators

5 joint publications

Michele Ceriotti

2 joint publications

Christoph Ortner

2 joint publications

Filippo Bigi

1 joint publications

Michael J Willatt