Research Focus

AI for Materials | Computational Materials Science

Education

  • Ph.D., Physics, University of Vienna, 2015
  • M.Sc., Physics, University of Vienna, 2011

Honors & Awards

Erwin Schrödinger Postdoctoral Fellow (FWF, Austria)

Teaching Interests

  • Thermodynamics of Materials
  • Introduction to Materials Science
  • Semiconductor Physics
  • Computational Materials Science

Research Overview

AI for Materials | Computational Materials Science

Discovery of novel materials for renewable energy applications using high-throughput density functional theory calculations and data-driven materials property predictions. Additional focus on surface science of thin-film growth, semiconductor fabrication, and heterogeneous catalysis.

Research Centers and Institutes

Selected Publications

  • C. Hsu, C. Schlesinger, K. Mudaliar, J. Leung, R. Walters, and P. Schindler, FIRE-GNN: Force-Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties, Advanced Intelligent Discovery (2025) e202500162 (10.1002/aidi.202500162)
  • A. Mehdizadeh and P. Schindler, Surface stability modeling with universal machine learning interatomic potentials: a comprehensive cleavage energy benchmarking study, AI for Science 1, 2 (2025) 025002 (10.1088/3050-287X/ae1408)
  • M. D. Witman and P. Schindler, MatFold: systematic insights into materials discovery models’ performance through standardized cross-validation protocols, Digital Discovery 4, 3 (2025) 625–635 (10.1039/D4DD00250D)
  • P. Schindler, E. R. Antoniuk, G. Cheon, Y. Zhu, and E. J. Reed, Discovery of Stable Surfaces with Extreme Work Functions by High-Throughput Density Functional Theory and Machine Learning, Advanced Functional Materials 34, 19 (2024) 2401764 (10.1002/adfm.202401764)
  • S. E. Rezaei and P. Schindler, Revealing Large Room-Temperature Nernst Coefficients in 2D Materials by First-Principles Modeling, Nanoscale 16, 12 (2024) 6142–6150 (10.1039/D3NR06127B)
  • E. R. Antoniuk, P. Schindler, W. A. Schroeder, B. Dunham, P. Pianetta, T. Vecchione, and E. J. Reed, Novel Ultrabright and Air-Stable Photocathodes Discovered from Machine Learning and Density Functional Theory Driven Screening, Advanced Materials, 2021, 33, 44, 120741 (10.1002/adma.202104081)
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Spotlight Story

Sep 08, 2025

How Research Experiences Shaped One Student’s Career Goals

Sarah LaCroix, E’27, chemical engineering and computer science, has participated in several incredible research opportunities at Northeastern University. Each experience positively impacted her future career aspirations, and now she wishes to pursue a career in research and development post-graduation.

Students: Undergraduate

Jul 17, 2025

Fall 2025 AJC Merit Research Scholars

Several engineering and science students mentored by COE faculty are recipients of Northeastern’s AJC Merit Research Scholarship, which will fund a co-op in the laboratory of a Northeastern University STEM faculty member.

Peter Schindler

Faculty

Aug 17, 2022

New Faculty Spotlight: Peter Schindler

Peter Schindler joins the Mechanical and Industrial Engineering department in August 2022 as an Assistant Professor.

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