Martin Siron, Ph.D.

CV

EDUCATION
Ph.D. Materials Science & Engineering, UC Berkeley, May 2022
Advisor: Kristin Persson
Focus: Machine Learning, Photocatalysts, CO2RR
Berkeley, California, USA

M.S. Materials Science & Engineering, UC Berkeley, May 2019
Advisor: Peidong Yang
Focus: Phase Transitions, Photonics, Fundamental Material Properties
Berkeley, California, USA. GPA: 3.5.

B.S. Chemical Engineering (Nanotechnology), University of Southern California, May 2017
Advisor: Andrea Armani
Focus: Optically cleavable polymers
Los Angeles, California, USA
GPA: 3.6

WORK EXPERIENCE
Entalpic, Quantum Chemistry Researcher, Paris, France
Summer 2024 - Present

Intel Corporation, Technology CAD, Technology Development Team, Senior Researcher/AI, Los Angeles, CA (remote)
Summer 2022 - Summer 2024
Keeping Moore’s law alive through materials simulations using quantum chemistry tools, Density Functional Theory, ab-initio, semi-empirical and neural network/ML trained force potentials molecular dynamics, nudged elastic band theory, and more.

Apple, Exploratory Design Group, Intern, Semiconductor Materials Scientist, San Francisco, CA (remote)
Spring 2022
Used quantum chemistry tools including ab-initio molecular dynamics, density functional theory, and data-driven approaches to simulate material properties, and aid in understanding processing.

Intel Corporation, Technology CAD, Technology Development Team, Intern, Quantum Chemistry, San Francisco, CA (remote)
Summer 2021
Built tool which leveraged machine learning to model reactions on amorphous material surfaces.

RESEARCH EXPERIENCE
Kristin Persson Research Group, University of California, Berkeley, Berkeley, CA
Project: High-Throughput Density Functional Theory for Photocatalysis for CO2 Reduction
Project: CO2 Adsorption on Telluride-based Materials
Project: High-throughput surface reaction exploration of amorphous materials

Peidong Yang Research Group, University of California, Berkeley, Berkeley, CA
Project: 2D Perovskite Nanoplates Self Assembly
Project: Langmuir Blodgett Assembly of Perovskite Nanowires
Project: Perovskite@Matrix: Phase Transition
Project: Lead free perovskite

National Center for Electron Microscopy, Lawrence Berkeley National Lab, Berkeley, CA
Project: Tecnai Microscope, EELS, HR-TEM, Focal Series

Advanced Light Source, Lawrence Berkeley National Lab, Berkeley, CA
Project: SAXS/WAXS – Beamline 7.3.3

Andrea Armani Research Group, University of Southern California, Los Angeles, CA
Project: Characterize a polymerization reaction with various variables and solvents with a UV cleavable base.
Project: Synthesized and characterized beta-Hematin particle (present in patients with Malaria) for Malaria diagnostic device.

Institute of Microelectronics, Tsinghua University, Beijing, China
Project: Use of molybdenum sulfide (MoS2) nano structure for Lithium-ion battery cathode.

PUBLICATIONS

12 papers, cited 591 times

  1. 2025

    Ali Ramlaoui, Martin Siron, Inel Djafar, Joseph Musielewicz, Amandine Rossello, Victor Schmidt, Alexandre Duval. “LeMat-Traj: A Scalable and Unified Dataset of Materials Trajectories for Atomistic Modeling.” arXiv.

    https://doi.org/10.48550/arxiv.2508.20875PDF
    BibTeX
    @misc{ramlaoui2025lemat,
  author = {Ali Ramlaoui and Martin Siron and Inel Djafar and Joseph Musielewicz and Amandine Rossello and Victor Schmidt and Alexandre Duval},
  title = {LeMat-Traj: A Scalable and Unified Dataset of Materials Trajectories for Atomistic Modeling},
  publisher = {arXiv},
  year = {2025},
  doi = {10.48550/arxiv.2508.20875}
}
  2. 2025

    Oxana Andriuc, Martin Siron, Kristin A. Persson. “Systematic computational study of oxide adsorption properties for applications in photocatalytic CO2 reduction.” Surface Science.

    https://doi.org/10.1016/j.susc.2025.122745PDFCited by 3
    BibTeX
    @article{andriuc2025systematic,
  author = {Oxana Andriuc and Martin Siron and Kristin A. Persson},
  title = {Systematic computational study of oxide adsorption properties for applications in photocatalytic CO2 reduction},
  journal = {Surface Science},
  year = {2025},
  volume = {758},
  pages = {122745},
  publisher = {Elsevier BV},
  doi = {10.1016/j.susc.2025.122745}
}
  3. 2024

    Guy C. Moore, Matthew K. Horton, Edward Linscott, Alexander M. Ganose, Martin Siron, David D. O'Regan, Kristin A. Persson. “High-throughput determination of Hubbard U and Hund J values for transition metal oxides via the linear response formalism.” Physical Review Materials.

    https://doi.org/10.1103/physrevmaterials.8.014409PDFCited by 129
    BibTeX
    @article{moore2024high,
  author = {Guy C. Moore and Matthew K. Horton and Edward Linscott and Alexander M. Ganose and Martin Siron and David D. O'Regan and Kristin A. Persson},
  title = {High-throughput determination of Hubbard U and Hund J values for transition metal oxides via the linear response formalism},
  journal = {Physical Review Materials},
  year = {2024},
  volume = {8},
  number = {1},
  publisher = {American Physical Society},
  doi = {10.1103/physrevmaterials.8.014409}
}
  4. 2023

    Martin Siron, Nita Chandrasekhar, Kristin A. Persson. “Enabling automated high-throughput Density Functional Theory studies of amorphous material surface reactions.” Computational Materials Science.

    https://doi.org/10.1016/j.commatsci.2023.112192Cited by 4
    BibTeX
    @article{siron2023enabling,
  author = {Martin Siron and Nita Chandrasekhar and Kristin A. Persson},
  title = {Enabling automated high-throughput Density Functional Theory studies of amorphous material surface reactions},
  journal = {Computational Materials Science},
  year = {2023},
  volume = {226},
  pages = {112192},
  publisher = {Elsevier BV},
  doi = {10.1016/j.commatsci.2023.112192}
}
  5. 2023

    Mengyu Gao, Yoonjae Park, Jianbo Jin, Peng-Cheng Chen, Hannah Devyldere, Yao Yang, Chengyu Song, Zhenni Lin, Qiuchen Zhao, Martin Siron, Mary C. Scott, David T. Limmer, Peidong Yang. “Direct Observation of Transient Structural Dynamics of Atomically Thin Halide Perovskite Nanowires.” Journal of the American Chemical Society.

    https://doi.org/10.1021/jacs.2c13711PDFCited by 51
    BibTeX
    @article{gao2023direct,
  author = {Mengyu Gao and Yoonjae Park and Jianbo Jin and Peng-Cheng Chen and Hannah Devyldere and Yao Yang and Chengyu Song and Zhenni Lin and Qiuchen Zhao and Martin Siron and Mary C. Scott and David T. Limmer and Peidong Yang},
  title = {Direct Observation of Transient Structural Dynamics of Atomically Thin Halide Perovskite Nanowires},
  journal = {Journal of the American Chemical Society},
  year = {2023},
  volume = {145},
  number = {8},
  pages = {4800--4807},
  publisher = {American Chemical Society},
  doi = {10.1021/jacs.2c13711}
}
  6. 2022

    Ruo Xi Yang, Caitlin A. McCandler, Oxana Andriuc, Martin Siron, Rachel Woods-Robinson, Matthew K. Horton, Kristin A. Persson. “Big Data in a Nano World: A Review on Computational, Data-Driven Design of Nanomaterials Structures, Properties, and Synthesis.” ACS Nano.

    https://doi.org/10.1021/acsnano.2c08411PDFCited by 82
    BibTeX
    @article{yang2022big,
  author = {Ruo Xi Yang and Caitlin A. McCandler and Oxana Andriuc and Martin Siron and Rachel Woods-Robinson and Matthew K. Horton and Kristin A. Persson},
  title = {Big Data in a Nano World: A Review on Computational, Data-Driven Design of Nanomaterials Structures, Properties, and Synthesis},
  journal = {ACS Nano},
  year = {2022},
  volume = {16},
  number = {12},
  pages = {19873--19891},
  publisher = {American Chemical Society},
  doi = {10.1021/acsnano.2c08411}
}
  7. 2022

    Jordan Burns, Bin Ouyang, Jianli Cheng, Matthew K. Horton, Martin Siron, Oxana Andriuc, Ruoxi Yang, Gerbrand Ceder, Kristin A. Persson. “Equilibrium Particle Shape and Surface Chemistry of Disordered Li-Excess, Mn-Rich Li-ion Cathodes through First-Principles Modeling.” Chemistry of Materials.

    https://doi.org/10.1021/acs.chemmater.2c00804Cited by 12
    BibTeX
    @article{burns2022equilibrium,
  author = {Jordan Burns and Bin Ouyang and Jianli Cheng and Matthew K. Horton and Martin Siron and Oxana Andriuc and Ruoxi Yang and Gerbrand Ceder and Kristin A. Persson},
  title = {Equilibrium Particle Shape and Surface Chemistry of Disordered Li-Excess, Mn-Rich Li-ion Cathodes through First-Principles Modeling},
  journal = {Chemistry of Materials},
  year = {2022},
  volume = {34},
  number = {16},
  pages = {7210--7219},
  publisher = {American Chemical Society},
  doi = {10.1021/acs.chemmater.2c00804}
}
  8. 2022

    Martin Siron, Oxana Andriuc, Kristin A. Persson. “Data-Driven Investigation of Tellurium-Containing Semiconductors for CO2 Reduction: Trends in Adsorption and Scaling Relations.” The Journal of Physical Chemistry C.

    https://doi.org/10.1021/acs.jpcc.2c04810Cited by 4
    BibTeX
    @article{siron2022data,
  author = {Martin Siron and Oxana Andriuc and Kristin A. Persson},
  title = {Data-Driven Investigation of Tellurium-Containing Semiconductors for CO2 Reduction: Trends in Adsorption and Scaling Relations},
  journal = {The Journal of Physical Chemistry C},
  year = {2022},
  volume = {126},
  number = {31},
  pages = {13224--13236},
  publisher = {American Chemical Society},
  doi = {10.1021/acs.jpcc.2c04810}
}
  9. 2021

    Oxana Andriuc*, Martin Siron*, Joseph H. Montoya, Matthew Horton, Kristin A. Persson. “Automated Adsorption Workflow for Semiconductor Surfaces and the Application to Zinc Telluride.” Journal of Chemical Information and Modeling.

    https://doi.org/10.1021/acs.jcim.1c00340PDFCited by 16
    BibTeX
    @article{andriuc2021automated,
  author = {Oxana Andriuc and Martin Siron and Joseph H. Montoya and Matthew Horton and Kristin A. Persson},
  title = {Automated Adsorption Workflow for Semiconductor Surfaces and the Application to Zinc Telluride},
  journal = {Journal of Chemical Information and Modeling},
  year = {2021},
  volume = {61},
  number = {8},
  pages = {3908--3916},
  publisher = {American Chemical Society},
  doi = {10.1021/acs.jcim.1c00340}
}

    *equal contributions

  10. 2020

    Jianmei Huang, Teng Lei, Martin Siron, Ye Zhang, Sunmoon Yu, Fabian Seeler, Ahmad Dehestani, Li Na Quan, Kerstin Schierle-Arndt, Peidong Yang. “Lead-free Cesium Europium Halide Perovskite Nanocrystals.” Nano Letters.

    https://doi.org/10.1021/acs.nanolett.0c00692PDFCited by 170
    BibTeX
    @article{huang2020lead,
  author = {Jianmei Huang and Teng Lei and Martin Siron and Ye Zhang and Sunmoon Yu and Fabian Seeler and Ahmad Dehestani and Li Na Quan and Kerstin Schierle-Arndt and Peidong Yang},
  title = {Lead-free Cesium Europium Halide Perovskite Nanocrystals},
  journal = {Nano Letters},
  year = {2020},
  volume = {20},
  number = {5},
  pages = {3734--3739},
  publisher = {American Chemical Society},
  doi = {10.1021/acs.nanolett.0c00692}
}
  11. 2020

    Hao Liu, Martin Siron, Mengyu Gao, Dylan Lu, Yehonadav Bekenstein, Dandan Zhang, Letian Dou, A. Paul Alivisatos, Peidong Yang. “Lead halide perovskite nanowires stabilized by block copolymers for Langmuir-Blodgett assembly.” Nano Research.

    https://doi.org/10.1007/s12274-020-2717-9PDFCited by 36
    BibTeX
    @article{liu2020lead,
  author = {Hao Liu and Martin Siron and Mengyu Gao and Dylan Lu and Yehonadav Bekenstein and Dandan Zhang and Letian Dou and A. Paul Alivisatos and Peidong Yang},
  title = {Lead halide perovskite nanowires stabilized by block copolymers for Langmuir-Blodgett assembly},
  journal = {Nano Research},
  year = {2020},
  volume = {13},
  number = {5},
  pages = {1453--1458},
  publisher = {Springer Science+Business Media},
  doi = {10.1007/s12274-020-2717-9}
}
  12. 2019

    Yong Liu, Martin Siron, Dylan Lu, Jingjing Yang, Roberto dos Reis, Fan Cui, Mengyu Gao, Minliang Lai, Jia Lin, Qiao Kong, Teng Lei, Joohoon Kang, Jianbo Jin, Jim Ciston, Peidong Yang. “Self-assembly of Two-dimensional Perovskite Nanosheet Building Blocks into Ordered Ruddlesden-Popper Perovskite Phase.” Journal of the American Chemical Society.

    https://doi.org/10.1021/jacs.9b06889PDFCited by 84
    BibTeX
    @article{liu2019self,
  author = {Yong Liu and Martin Siron and Dylan Lu and Jingjing Yang and Roberto dos Reis and Fan Cui and Mengyu Gao and Minliang Lai and Jia Lin and Qiao Kong and Teng Lei and Joohoon Kang and Jianbo Jin and Jim Ciston and Peidong Yang},
  title = {Self-assembly of Two-dimensional Perovskite Nanosheet Building Blocks into Ordered Ruddlesden-Popper Perovskite Phase},
  journal = {Journal of the American Chemical Society},
  year = {2019},
  volume = {141},
  number = {33},
  pages = {13028--13032},
  publisher = {American Chemical Society},
  doi = {10.1021/jacs.9b06889}
}

GRANTS/AWARDS
Intel Department Award, 2023, for developing neural network forcefield modeling methods
Intel Department Award, 2022, for developing method to study amorphous materials surface reactions
National Science Foundation, Graduate Research Fellowship Program
National Academy of Engineering, Grand Challenge Scholar
University of Southern California, Presidential Scholar
Charles J. Rebert Award for Outstanding Service
Rose Hills, Research Fellowship
University of Southern California, Provost Fellow (Received: Summer 2016, Fall 2016, Spring 2017)
O4U Engineering Fellow
University of Southern California, Undergraduate Research Assistant Fellowship
Seely Mudd Scholarship

INVOLVEMENT

Graduate Assembly, UC Berkeley, 2020-2021 Vice President of Finance (Daily Cal Coverage), 2017-2020 Materials Science & Engineering Delegate

Materials Science & Engineering Graduate Student Council, UC Berkeley
2018-2019 President

CONFERENCES AND PRESENTATIONS

  • Martin Siron, Mathilde Franckel, Alexandre Duval. “Generative Flow Networks for ML-driven material discovery of novel catalysts”, Psi-K 2025 Lausanne, Switzerland.
  • Martin Siron, Inel Djafar. “Le Material: a first-principles databases repository and tools to advance materials discovery”, AI4AM 2025, San Sebastian, Spain.
  • Martin Siron. “Using ML Tools to Enable High-throughput Studies of Amorphous Material Surfaces, and Its Application to Plasma Etching.” Materials Research Society Spring Meeting 2024, Honolulu, HI.
  • Martin Siron. “High-Throughput study of Tellurium-Containing Semiconductors for Photocatalysis.” Materials Research Society Spring Meeting 2024, Honolulu, HI.

SKILLS
Programming languages: Python, Java, C++
DFT/MD Simulation Software: VASP, CP2K, LAMMPS, QuantumEspresso, ORCA
High-throughput Materials Software: Pymatgen, Atomate2, JobFlow, Fireworks, Custodian
Neural Network, AI4Science: PyTorch, GFlowNet, Mattergen, MACE, UMA, Allegro, and other MLIPs
Spoken Languages: French (Native), English (Native)