W3084164197

• Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative

  2025 Advanced Engineering Materials article Decision Sciences Scientific Computing and Data Management Open access

  18

  citations
• Atomate2: modular workflows for materials science

  2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

  43

  citations
• High-throughput magnetic co-doping and design of exchange interactions in topological insulators

  2024 Physical Review Materials article Physics and Astronomy Topological Materials and Phenomena Open access

  5

  citations
• Characterization of single in situ prepared interfaces composed of niobium and a selectively grown ( Bi1−xSbx)2Te3 topological insulator nanoribbon

  2024 Physical Review Materials article Physics and Astronomy Topological Materials and Phenomena

  1

  citations
• Atomic Diffusion-Induced Polarization and Superconductivity in Topological Insulator-Based Heterostructures

  2023 ACS Nano article Physics and Astronomy Topological Materials and Phenomena Open access

  12

  citations
• A robust and efficient line search for self-consistent field iterations

  2022 Journal of Computational Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  7

  citations
• The AiiDA-Spirit Plugin for Automated Spin-Dynamics Simulations and Multi-Scale Modeling Based on First-Principles Calculations

  2022 Frontiers in Materials article Physics and Astronomy Magnetic properties of thin films Open access

  4

  citations
• Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCE ngine ): Automation and interoperability among computational chemistry programs

  2021 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  52

  citations

8 results