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I am a computational material designer for soft matter using traditional simulations and machine learning.

My background is in physics and chemical engineering, but I combine it with software engineering, chemistry and data science for my projects.

Research Interests

Mutliscale Entangled Polymer Dynamics

Mutliscale Entangled Polymer Dynamics
Material Design driven by Machine Learning

Material Design driven by Machine Learning
Block copolymer morphologies

Block copolymer morphologies
Software engineering for accelerated HPC: SOMA et. al.

Software engineering for accelerated HPC: SOMA et. al.

Curriculum Vitae

 

Experience

  • 01/2023 - present: Schmidt AI in Science Postdoctoral Research Fellow
    Pritzker School of Molecular Engineering and Office of the Provost, The University of Chicago, IL, USA
    Developing and applying ML and AI in material research with a focus on material science and framework development.

  • 11/2020 - 01/2023: Postdoctoral Researcher,
    Pritzker School of Molecular Engineering, The University of Chicago, IL, USA, Prof. Juan de Pablo.
    Computational and AI material research and design; high performance and GPU accelerated software development.

  • 04/2015 - 10/2020: Scientific Coworker
    Institute for Theoretical Physics, Georg-August Universität, Göttingen, Germany, Prof. Dr. Marcus Müller.

    Softmatter non-equilibrium research with soft, coarse-grained models; high performance and GPU accelerated software development; assistant and independent teaching: supervision of Bachelor and Master students.

  • 04/2013 - 10/2013: Teaching Assistant
    Georg-August Universität, Göttingen, Germany

    2 hour per week tutoring class for 24 students; correction of homework and exams.

  • 03/2012 - 08/2012: Research Internship
    Max-Planck Institute for Dynamics and Self-Organisation, Göttingen, Germany

    Fluctuations of Dynamical Complexity in Chaotic Excitable Media and their Effect on Controllability

  • 07/2008: Intern Ship Mechanic
    Leonhard & Blumberg, Hamburg, Germnay / Mediterranean Sea (Turkey, Egypt, Syria)
    Trainee aboard the container vessel “MV Hansa Bergen”; deck and machine intern

Skills

Programming

  • Advanced: C++, Python, C, CUDA, OpenACC, MPI

  • Intermediate: LaTeX, OpenMP, java, Linux/Unix, Tensorflow/Keras

Languages

  • German: native

  • English: full professional proficiency

  • ancient Greek: Graekum, ancient latin: Latinum

Education

  • 04/2015 - 04/2019: Doctor rerum naturalium (Theoretical Physics)
    GAUSS, Georg-August Universität, Göttingen, Prof. Dr. Marcus Müller

  • 09/2013 - 04/2015: Master of Science (Physics)
    Faculty of Physics, Georg-August Universität, Göttingen

  • 09/2010 - 06/2013: Bachelor of Science (Physics)
    Faculty of Physics, Georg-August Universität, Göttingen

  • 09/2001 - 06/2010: Abitur (specialized in mathematics and physics)
    Katharineum, zu Lübeck

Honors and Awards

  • 2022: 3rd place APS poster award

  • 2021: Participation at the 70th Lindau Nobel Laureate Meeting

  • 2021: Selection of SOMA for the SPEC HPC benchmark

  • 2019: Dr. Berliner – Dr. Ungewitter Foundation (outstanding Ph.D. Dissertation)

  • 2015: Dr. Berliner – Dr. Ungewitter Foundation (outstanding Master Thesis)

  • 2010: Hermann-Baethcke-Foundation (extraordinary effort, Abitur)

Publications

  1. Entanglements via Slip Springs with Soft, Coarse-Grained Models for Systems Having Explicit Liquid–Vapor Interfaces
    Schneider, L.,     de Pablo, J. J., Macromolecules, 2023

  2. Evaporation-Induced Self-Assembly of Diblock Copolymer Films in an Electric Field: A Simulation Study
    Dreyer, O., Schneider, L., Radjabian, M.,  Abetz, V., Müller, M., Macromolecules, 2023

  3. Side Chain Dipole Orientation and Its Effect on Microphase Separation: Experiment and Simulation via Structural Isomer Variation

    Feng, H*., Schneider, L.*, Loo, W., Craig, G.S., Eom, C., Wang, Z., Ruiz, R., de Pablo, J.J., Rowan, S.J. and Nealey, P.F., Macromolecules, 2023, 56, 12, 4591–4601

  4. Community Resource for Innovation in Polymer Technology (CRIPT): A Scalable Polymer Material Data Structure
    D. J. Walsh, W. Zou, L. Schneider, R. Mello, M. E. Deagen, J. Mysona, T.-S. Lin, J. J. de Pablo, K. F. Jensen, D. J. Audus, B. D. Olsen, ACS Cent. Sci., 2023

  5. In silico active learning for small molecule properties

    Schneider*, L., Schwarting*, M., Mysona, J., Liang, H., Han, M., Rauscher, P.M., Ting, J.M., Venkatram, S., Ross, R.B., Schmidt, K. J., Blaiszik, B., Foster, I., de Pablo, J.J., Mol. Syst. Des. Eng., 2022

  6. Effect of Slip-Spring Parameters on the Dynamics and Rheology of Soft, Coarse-Grained Polymer Models

    Hollborn, K.U., Schneider, L., Müller M. The Journal of Physical Chemistry B, 2022.

  7. Simulation of Solvent Evaporation from a Diblock Copolymer Film: Orientation of the Cylindrical Mesophase

    Dreyer, O. Ibbeken, G., Schneider, L., Blagojevic, N., Radjabian, M., Abetz, V., Müller, M., Macromolecules, 2022

  8. Molecular simulations and hydrodynamic theory of nonlocal shear stresscorrelations in supercooled fluids

    Steffen, D., Schneider, L., Müller, M., Rottler, J. The Journal of Chemical Physics, 2022, 157(6), 064501.

  9. Wall-Spring Thermostat: A Novel Approach for Controlling the Dynamics of Soft Coarse-Grained Polymer Fluids at Surfaces

    Jana, P. K., Bacova, P., Schneider, L., Kobayashi, H., Hollborn, K. U., Polinska, P., Burkhart C., Harmandaris V., Müller, M. Macromolecules, 2022, 55(13), 5550-5566.

  10. Is the “Bricks-and-Mortar” Mesophase Bicontinuous? Dynamic Simulations of Miktoarm Block Copolymer/Homopolymer Blends
    Bezik, C.T., Mysona, J., Schneider, L., Ramírez-Hernández, A., Müller, M., & de Pablo, J. J. Macromolecules 2022, 55, 3, 745–758

  11. Combining Particle-Based Simulations and Machine Learning to Understand Defect Kinetics in Thin Films of Symmetric Diblock Copolymers
    Schneider, L.     & de Pablo, J. J., Macromolecules, 54, 21, 10074-10085 (2021)

  12. Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations,
    Behbahani*, A. F., Schneider*, L., Rissanou, A., Chazirakis, A., Bačová, P., Jana, P. K., Li, W., Doxastakis, M., Polińska, P., Burkhart, C., Müller, M. & Harmandaris, V. A., Macromolecules 54, 2740–2762 (2021)

  13. Dynamics of Long Entangled Polyisoprene Melts via Multiscale Modeling,
    Wei, L., Jana, P. K., Behbahani, A. F., Kritikos, G., Schneider, L., Polińska, P., Burkhart, C., Harmandaris, V. A., Müller, M., and Doxastakis, M., Macromolecules (2021).

  14. Symmetric Diblock Copolymers in Cylindrical Confinement: A Way to Chiral Morphologies?
    Schneider, L.    , Lichtenberg, G., Vega, D. & Müller, M. ACS Applied Materials & Interfaces 12, 50077–50095 (2020)

  15. Rheology of symmetric diblock copolymers
    Schneider, L.     & Müller, M. Comput. Mater. Sci. 169, 109107 (Nov. 2019)

  16. Engineering Scale Simulation of Nonequilibrium Network Phases for Battery Electrolytes
    Schneider, L. & Müller, M. Macromolecules 52, 2050–2062 (2019)

  17. Multi-architecture Monte-Carlo (MC) simulation of soft coarse-grained polymeric materials: Soft coarse grained Monte-Carlo Acceleration (SOMA)
    Schneider, L. & Müller, M. Macromolecules 52, 2050–2062 (2019)

  18. Transitions between Lamellar Orientations in Shear Flow
    Schneider, L.    , Heck, M., Wilhelm, M. & Müller, M. Macromolecules 51, 4642–4659 (2018)

  19. Diblock Copolymers with Similar Glass Transition Temperatures in Both Blocks for Comparing Shear Orientation Processes with DPD Computer Simulations
    Heck, M., Schneider, L., Müller, M. & Wilhelm, M. Macromol. Chem. Phys. 219, 1700559 (2018)

  20. A Detailed Examination of the Topological Constraints of Lamellae-Forming Block Copolymers
    A. Ramírez-Hernández, B. L. Peters, L. Schneider, M. Andreev, J. D. Schieber, M. Müller, M. Kröger, and J. J. de Pablo, Macromolecules 51, 2110–2124 (2018)

  21. A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation
    A. Ramírez-Hernández, B. L. Peters, L. Schneider, M. Andreev, J. D. Schieber, M. Müller, and J. J. de Pablo, The Journal of Chemical Physics 146, 014903 (2017)