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Sergei Tretiak — most-cited papers & profile · AI for Science
← authors
·
overview
Sergei Tretiak
15
papers ·
59
citations ·
89
h-index
Los Alamos National Laboratory · Center for Theoretical Physics · Center for Integrated Nanotechnologies
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Most-cited papers
Partitioning Quantum Chemistry Simulations with Clifford Circuits
2023 · 11 citations
Semi-Empirical Shadow Molecular Dynamics: A PyTorch implementation
2023 · 8 citations
PySEQM 2.0: Accelerated Semiempirical Excited State Calculations on Graphical Processing Units
2025 · 5 citations
Learning Together: Towards foundational models for machine learning interatomic potentials with meta-learning
2023 · 5 citations
Machine Learned Hückel Theory: Interfacing Physics and Deep Neural Networks
2019 · 4 citations
Accurate quantum simulation of molecular ground and excited states with a transcorrelated Hamiltonian
2022 · 4 citations
Transferable Molecular Charge Assignment Using Deep Neural Networks
2018 · 3 citations
Quantum simulation of molecular response properties
2023 · 3 citations
SA-GAT-SR: Self-Adaptable Graph Attention Networks with Symbolic Regression for high-fidelity material property prediction
2025 · 2 citations
Reactive Chemistry at Unrestricted Coupled Cluster Level: High-throughput Calculations for Training Machine Learning Potentials
2025 · 1 citations
Teacher-student training improves accuracy and efficiency of machine learning interatomic potentials
2025 · 1 citations
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
2022 · 1 citations
Machine Learning Framework for Modeling Exciton-Polaritons in Molecular Materials
2023 · 1 citations
Top co-authors
Nicholas Lubbers
· 6
Kipton Barros
· 5
Lukasz Cincio
· 4
Pavel A. Dub
· 4
Ashutosh Kumar
· 3
Ayush Asthana
· 3
Benjamin Nebgen
· 3
Justin S. Smith
· 3
Richard Messerly
· 3
Sakib Matin
· 3
Alice E. A. Allen
· 2
Anders M. N. Niklasson
· 2
Topics
Chemistry
Materials
Physics ML
Drug Discovery