Journal Collections

Emerging Leaders 2024
This special issue brings together top young researchers across electronic structure research.

Focus on Orbital-Free Density Functional Theory
Chen Huang Florida State University, USA
Michele Pavanello Rutgers University-Newark, USA
Yanming Ma, Jilin University, China

Focus on Software in Electronic Structure Research
Guest Editors
Wei Hu University of Science and Technology of China, China
Igor Ying Zhang Fudan University, China
Bingbing Suo Northwest University, China
Xinming Qin University of Science and Technology of China, China
Ruiqi Zhang Tulane University, USA
Kai Wu University of Rome Tor Vergata, Italy

Focus on Electronic structure of Large Systems: From Macromolecules to Materials
Guest Editors
Valerie Vaissier Welborn Virginia Tech, USA
Tamar Goldzak Bar Ilan University, Israel
Rahul Maitra Indian Institute of Technology Bombay, India

Focus on the 35th Workshop on Recent Developments in Electronic Structure Methods
Guest Editors
David Strubbe University of California, Merced, USA
Aurora Pribram-Jone University of California, Merced, USA

Focus on Electronic Structure Manipulation in Bulk and 2D-Materials for Specific Electronic Applications and Improved Multifunctionalities
Guest Editors
Dr. Shakeel Ahmad Khandy Zhejiang University 311200-China
Dr. Kulwinder Kaur Mehr Chand Mahajan DAV College for Women, Chandigarh-160036 INDIA
Dr. Ishtihadah Islam National Institute of Technology Srinagar-190006 INDIA

Focus on Mixed-Dimensional van der Waals Heterostructures Based on 2D Materials
Guest Editors
Juliana Morbec Keele University, UK
Peter Kratzer University of Duisburg-Essen, Germany
Nilanthy Balakrishnan Keele University, UK

Focus on Electronic Structure Theory in India
Guest Editors
Dr. Dattatray J. Late Centre for Nanoscience and Nanotechnology, Mumbai
Prof. Atanu Bhattacharya Indian Institute of Science, Bangalore
Prof. Professor V. Kanchana Indian Institute of technology, Hyderabad
Prof. Debashree Ghosh Indian Association for the Cultivation of Science, Kolkata

Quantum Chemistry in the Ages of Quantum Computing: Today, Tomorrow, and Beyond
Guest Editors
Bert de Jong, PhD Lawrence Berkeley National Laboratory
Prof. Rosa Di Felice University of Southern California, Los Angeles
Ieva Liepuoniute, PhD IBM Research-Almaden
Jeffrey Cohn, PhD IBM Research-Almaden
Prof. James Whitfield, Dartmouth College
Travis S. Humble, PhD Oak Ridge National Laboratory

Focus on Electronic Structure of Rechargeable Batteries
Guest Editors
Professor Liang Zhang Soochow University
Professor Dan Sun Chinese Academy of Sciences
Professor Ning Li Beijing Institute of Technology

Focus on Theory and Simulation of Defects in Solids
Guest Editors
Michele Pizzochero, Harvard University, USA
Guido Gandus, EMPA & ETH Zurich, Switzerland
Risto Nieminen, Aalto University, Finland
Arkady V Krasheninnikov, Helmholtz-Zentrum Dresden-Rossendorf, Germany

Focus on Tailoring the Electronic Structure of Heterogeneous Catalysts
Guest Editors
Mie Andersen, Aarhus University, Denmark
Kirsten Winther, SLAC National Accelerator Laboratory, Stanford University, USA

Focus on Common Problems and Best Practice in Electronic Structure Research
Guest Editors
Caterina Cocchi, Carl von Ossietzky Universität Oldenburg, Germany
Steffen Duhm, Soochow University, China

Emerging Leaders 2023
This special issue brings together top young researchers across electronic structure research.

Focus on Excited States of Condensed Matter
Guest Editors
Sheng Meng Institute of Physics, Chinese Academy of Sciences, China
Jin Zhao University of Science and Technology, China
Hong Jiang Peking University, China

Magnetism Beyond Density Functional Theory
Guest Editors
Leon Petit Science and Technology Facilities Council, UK
Jerome Jackson Science and Technology Facilities Council, UK

Focus on Electronic Structure in Biology: Using Electronic Structure Calculations to Understand Biological Systems
Guest Editors
Amir Karton University of Western Australia, Australia
Heather J. Kulik Massachusetts Institute of Technology, USA
Marc Van der Kamp University of Bristol, UK

Focus on Electronic Structure Calculations in Sweden
Guest Editors
Roland Lind Uppsala University, Sweden
Caroline Lynn Kamerlin Uppsala University, Sweden

Emerging Leaders 2022
This special issue brings together top young researchers across electronic structure research.

Focus on Van der Waals Interactions
Guest Editors
Robert A. DiStasio Cornell University, USA
Erin R. Johnson Dalhousie University, Canada
Alexandre Tkatchenko University of Luxembourg, Luxembourg

Focus on Nano-Optoelectronics
Guest Editors
Dattatray Late Amity University, Centre for Nanoscience and Nanotechnology, India
Steffen Duhm Soochow University, China

Emerging Leaders 2021
This special issue brings together top young researchers across electronic structure research.

Focus on Electronic Structure of 4f and 5f Systems
Guest Editors
Shin-Ichi Fujimori Japan Atomic Energy Agency, Japan
Gertrud Zwicknagl Technical University of Braunschweig, Germany

Emerging Leaders 2020
This special issue brings together top young researchers across electronic structure research.

X-ray Absorption Spectroscopy of Energy Materials
Guest Editors
Liang Zhang Soochow University
Tsun-Kong Sham University of Western Ontario

Twisted 2D Materials
Guest Editors
Arindam Ghosh Indian Institute of Science, Bangalore
Manish Jain Indian Institute of Science, Bangalore
Priya Mahadevan SN Bose Centre for Basic Sciences, Kolkata

ARPES Studies of Topological Materials
Guest Editors
Phil King St Andrews University
Philip Hofmann Aarhus University

Understanding Chemistry and Biochemistry with Conceptual Models
Guest Editors
Shina Caroline Lynn Kamerlin Uppsala University
Étienne Derat Sorbonne Université Paris

Focus on Electronic Structure Theory in China
Guest Editors
Hong Jiang Peking University
Shuhua Li Nanjing University
Xin Xu Fudan University