Opening of the Workshop and Welcoming Remarks

• Cem Sevik (Eskisehir Technical University)

Introduction to Magnetism and Magnetic Materials

• Hitesh J. Changlani (Florida State University)

--- Lecturer: Hitesh Changlani is a theoretical and computational condensed matter physicist. After graduating from Cornell in 2013 and postdoctoral positions at the University of Illinois at Urbana Champaign and Johns Hopkins, Hitesh joined Florida State University and the National High Magnetic Field Laboratory in 2018. Hitesh is interested in the study of quantum systems of many strongly interacting particles. Broadly, his research interests fall into the following categories: • Mott insulators and frustrated magnets with a strong emphasis on experimentally relevant materials • Development and application of novel numerical algorithms for the quantum many-body problem (tensor networks and quantum Monte Carlo) • Multi-scale modeling of quantum matter with effective Hamiltonians from "density matrix downfolding" • Physics of dilution and disorder, especially in magnets • Quantum information and entanglement, mutual information, and density matrix-based metrics.

Introduction to Magnetism and Magnetic Materials

• Hitesh J. Changlani (Florida State University)

Two-Dimensional Materials

• Sevil Sarikurt (TÜBİTAK-ULAKBİM)

First Principles Simulations I

• Betül Pamuk (Cornell University)

----- Lecturer: Betül Pamuk has obtained her B.S. (2008) degree from Bilkent University, and M.A. (2011) and Ph.D. (2014) from Stony Brook University. She was a postdoctoral researcher at Sorbonne University (2014–2016) and is currently a research associate at Cornell University working at NSF Materials Innovation Platform, PARADIM, as a staff scientist. She has been working in the field of computational condensed matter physics using first-principles calculations. Her research is focused on understanding the effect of phonons on the atomic and electronic structure.

First Principles Simulations II

• Betül Pamuk (Cornell University)

TRUBA e-Infrastructure

• Sevil Sarikurt Malcioglu (TÜBİTAK-ULAKBİM)

Tutorial and Discussion Session

• Betül Pamuk (Cornell University)

Accurate First-Principles determination of Hubbard U parameters for Magnetic Materials

• Ceren Sibel Sayın (Bilkent University)

Determination of Magnetic Transitions: Monte Carlo

• Yen Lee Loh (University of North Dakota)

--- Lecturer: Dr. Yen Lee Loh is an associate professor in the Department of Physics and Astrophysics at the University of North Dakota.  He obtained a BA (Hons) and MSci in Physical Natural Sciences at Trinity College Cambridge in 2000, and a Ph.D. from the Cavendish Laboratory at Cambridge University in 2005. He held three-year postdoctoral research positions at Purdue University and The Ohio State University.  He joined the faculty at UND in 2011. Dr. Loh's research focuses on the theory of condensed matter systems, where the mutual interaction of large numbers of particles leads to interesting collective behavior. He is particularly interested in the production and detection of novel phases of strongly correlated fermions and bosons, in mathematical models, materials, and ultracold atomic gases. Magnetism, superconductivity, disorder, quantum criticality, and Coulomb blockade effects are recurring themes in his research.  Dr. Loh is also involved in a systems biology collaboration on computational methods for inferring gene regulatory networks from gene expression time series.

Determination of Magnetic Transitions: Monte Carlo

• Yen Lee Loh (University of North Dakota)

----- Lecturer: Dr. Yen Lee Loh is an associate professor in the Department of Physics and Astrophysics at the University of North Dakota.  He obtained a BA (Hons) and MSci in Physical Natural Sciences at Trinity College Cambridge in 2000, and a PhD from the Cavendish Laboratory at Cambridge University in 2005. He held three-year postdoctoral research positions at Purdue University and The Ohio State University.  He joined the faculty at UND in 2011. Dr. Loh's research focuses on the theory of condensed matter systems, where the mutual interaction of large numbers of particles leads to interesting collective behavior. He is particularly interested in the production and detection of novel phases of strongly correlated fermions and bosons, in mathematical models, materials, and ultracold atomic gases. Magnetism, superconductivity, disorder, quantum criticality, and Coulomb blockade effects are recurring themes in his research.  Dr. Loh is also involved in a systems biology collaboration on computational methods for inferring gene regulatory networks from gene expression time series.

TB2J

• Matthieu J Verstraete (Université de Liège)
• Xu He (Université de Liége, Catalan Institute of Nanoscience and Nanotechnology)

The example files can be found on the GitHub repository: https://github.com/mailhexu/TB2J_tutorial or downloaded from this link: https://github.com/mailhexu/TB2J_tutorial/archive/refs/heads/main.zip One can start with the following pages online: • Online documentation: tb2j.readthedocs.io/en/latest/ • Video tutorials: https://www.youtube.com/channel/UCPbmKE10Wz3orbo4x-g0c9A If there are questions about TB2J, this is the place to ask: • Online forum: https://groups.google.com/g/tb2j ----- Lecturers: Matthieu Verstraete is a professor of physics at the University of Liège (since 2009), a Fellow of the American Physical Society and the Young Academy of Europe, and chairman of the steering committee of the European Theoretical Spectroscopy Facility (since 2012). He works on the development of novel theory and open-source software to study the electronic structure of condensed matter, applied to the coupling between electrons, phonons, and spins. He has developed applications in energy materials, thermoelectricity, phase transitions, magnetism, and nanoelectronics, in particular recently on the optical, transport, and vibrational dynamics of 2D materials. Dr. Xu He received his BSc at Huazhong Univerisity of Science and Technology, and Ph.D. degree in the Institute of Physics, Chinese Academy of Sciences in China. After that he was a postdoc in the University of Liege in Belgium, and then in the Catalan Institute of Nano-science and Nanotechnology in Spain. He is currently a postdoc researcher in the Catholic University of Louvain. His main research interests include the developing of multi-scale simulation methods based on DFT for the simulation of electronic, lattice, and spin properties of materials. He's an active developer of several widely used codes, including Abinit, Multibinit, TB2J, and Siesta.

Vampire

• Sarah Jenkins (University of Duisburg-Essen)

---- Lecturer: Dr. Sarah Jenkins is a postdoctoral researcher at the University of Duisburg-Essen. Previously, she worked at the University of York as a developer of the Vampire software package for atomistic modelling of magnetic materials. The software package currently has over 350 users worldwide. She has implemented many new features and she is actively contributing to the growth and public engagement of the package. She has two years of software development experience. Her research is focused on computational modeling of magnetic materials at the atomistic scale, focusing on anti-ferromagnetic materials. More recently, she has been working on projects in resevior computing using magnetic materials, 2D materials, and machine learning.

ESpinS

• Mojtaba  Alaei (Isfahan University of Technology)

----- Lecturer: Mojtaba Alaei Ph.D. Isfahan University of Technology, Sep 2003 - Apr. 2009 Dissertation Topic: “Some faults in common approximations in Density Functional Theory and some solutions for them” Supervisor: Hadi Akbarzadeh M.S., Condensed matter physics, Isfahan University of Technology, Sep. 2001 - Sep. 2003 Dissertation Topic: “Molecular Dynamic Simulation of β-hairpin” B.S., Physics, Solid-state, Sharif University of Technology, Tehran, Iran, Sep. 1996 - Sep. 2001 He uses computational material methods such as DFT, Monte Carlo, Genetic algorithm, and Machine learning to predict material properties, especially for magnetic materials. At the moment, he is an Associate professor at the Isfahan University of Technology, Iran.

Spin Dynamics Code: matjes

• Bertrand Dupé (Université de Liège)

---- Lecturer: Bertrand Dupé completed his PhD thesis on the study of multiferroic materials from 2007 to 2010 at the Structures Properties and Modeling of Solids (SPMS) laboratory at Ecole Centrale de Paris. He then continued his research at the University of Kiel (Germany) and at the Jülich Research Center (Germany) until 2016 where he worked on the link between topology and non-collinear magnetism. In 2016 he worked as a substitute professor and then in 2017 as a group leader at the University of Mainz. Since 2019, he is a Researcher FNRS assigned to the Nanomat laboratory at the University of Liege. Within the Q-mat research center, to which Nanomat belongs, he studies via theoretical methods magnetic materials for applications in spintronics and superconductivity.

Tutorial and Discussion Session

Topological aspects of 2D magnets

• Onur Erten (Arizona State University)

--- Lecturer: Onur Erten obtained his undergraduate degree from Bilkent University and PhD from Ohio State University. Before joining to Arizona State University as an assistant professor, he worked at Rutgers University and Max Planck Institute for Physics of Complex Systems as a postdoctoral researcher.

From spin-orbit interaction to skyrmionics in real materials

• Stefan Blügel (Peter Grünberg Institut and Institute for Advanced Simulation)

---- Lecturer: Stefan Blügel is a Full Professor at the Department of Physics of German Excellence University RWTH Aachen and he is the Institute Director of the department Quantum Theory of Materials member of the Peter Grünberg Institute and the Institute for Advanced Simulation. He studied Physics at the University of Saarbrücken in Germany, at the College of William and Mary in Virginia (US), and at the RWTH Aachen University where he finished his Master degree in physics in 1977, his PhD in Physics in 1988, and his Habilitation in Physics in 1996. He was a postdoc between 1988 and 1990 with Professor Terakura at the Institute for Solid State Physics at the Tokyo University in Tokyo Japan. The scientific key-interest of Stefan Blügel lies in the field of Density functional theory in combination with magnetism, spintronics, spin-orbit related phenomena, low-dimensional physics, 2D-materials, and quantum materials. He and his group develop all-electron density functional theory methods for these fields, in particular, the Full-potential Linearized Augmented Plane Wave open-source code FLEUR and also Korringa-Kohn-Rostoker Green function methods. He tries to develop these methods in the direction of exascale and high-throughput computing. He is one of the discoverers of the interface Dzyaloshinskii-Moriya Interaction. He advised about 77 PhD students, published about 520 papers in refereed journals which have cited about 22000 times. He received several national prizes and a Synergy Grant of the European Research Council.

Machine Learning Approaches

• Murat Keçeli (Argonne National Laboratory)

---- Lecturer: Murat Keçeli is an assistant computational scientist at Argonne National Laboratory. He received BS and MS degrees in physics from Bilkent University and a PhD degree in chemical physics from the University of Illinois at Urbana-Champaign. After graduation, he worked as a postdoctoral associate at the Massachusetts Institute of Technology Chemical Engineering department until he joined Argonne in 2014.

Machine Learning Approaches for Magnetic Characterization

• Trevor David Rhone (Rensselaer Polytechnic Institute)

---- Lecturer: Trevor David Rhone received a liberal arts education from Macalester College in Saint Paul. He pursued his doctoral studies at Columbia University where he did experimental studies of two-dimensional electron systems in the extreme quantum limit using inelastic light scattering. Rhone spent several years at NTT Basic research laboratories in Japan where he received the BRL director award for his research. While working at the National Institute of Materials Science in Tsukuba, Japan, he transitioned to materials informatics – an emerging field combining materials science with machine learning. He continued this work at Harvard University as a postdoctoral prize fellow where he used machine learning tools to search for new 2D magnetic materials. Rhone is now a member of the faculty at RPI, where his research interests are at the intersection of materials science and AI. His research goals include the discovery of 2D magnetic materials, in addition to creating physical insight into their behavior. He recently received the NSF CAREER award for his research.

Machine Learning Approaches for Magnetic Characterization

• Trevor David Rhone (Rensselaer Polytechnic Institute)

Spin-phonon and spin-lattice coupling

• Turan Birol (University of Minnesota )

--- Lecturer: Turan Birol received his BS and MS degrees in Physics from Middle East Technical University and Koç University respectively. Following a Ph.D. in Physics at Cornell University, completed in 2013, and a postdoctoral appointment at the Rutgers University Condensed Matter Theory Group, he became an assistant professor of Chemical Engineering and Materials Science at the University of Minnesota in 2016.

Tutorial and Discussion Session

Closing Remarks