PCCP is delighted to announce that our latest themed collection, Structure and dynamics of chemical systems: Honouring N. Sathyamurthy’s 75th birthday, is now online and free to access until 28th December 2026. Guest Edited by Ashwani K. Tiwari (IISER Kolkata, India), Balakrishnan Naduvalath (University of Nevada, Las Vegas, USA), R. S. Swathi (IISER Thiruvananthapuram, India) and Neelanjana Sengupta (IISER Kolkata, India).
About This Collection
Professor Narayanasami Sathyamurthy’s influence on theoretical chemistry research in India, particularly in chemical reaction dynamics, is profound and far-reaching. When he joined the Indian Institute of Technology (IIT) Kanpur in 1978, he was the sole researcher in this field in the country. Today, numerous research groups, many led by his former group members or their students, are conducting pioneering work on various aspects of chemical dynamics at top institutions across India. His scientific legacy is both deep and lasting, and he has played a pivotal role in shaping the landscape of theoretical and computational chemistry research in India.
This special collection in PCCP celebrates his distinguished career and showcases research in theoretical and computational chemistry focused on the structure and dynamics of chemical systems. Topics of interest include, but are not limited to:
Molecular reaction dynamics (experimental, computational and theoretical work), Computational chemical dynamics, Statistical mechanics of condensed matter and biomolecular systems, Potential energy surfaces and free energy landscapes, Electronic structure theory and computation.
Profile
Read the Collection
Explore a selection of articles from the collection below, or discover the complete collection here.
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Intramolecular quantum dynamics on intersecting potential energy surfaces: a tutorial review
H. Köppel and B. Nikoobakht Phys. Chem. Chem. Phys. (2026) 28 (15): 9124–9140. |
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Photoswitchable organic magnetic materials
Jana, S. Chatterjee and S. Bandyopadhyay Phys. Chem. Chem. Phys. (2025) 27 (45): 24131–24145. |
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Mantu Kumar Sah; Soumya Mukherjee; Satyam Ravi; Satrajit Adhikari Phys. Chem. Chem. Phys. (2025) 27 (29): 15759–15774 |
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Two-dimensional ring polymer molecular dynamics determination of the MnO+ + H2/D2 reaction rates on a Δ-machine learned potential energy surface
Yang Liu; Chen Li; Milan Ončák; Hua Guo Phys. Chem. Chem. Phys. (2025) 27 (40): 21604–21613.
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Sheetal Ranaut; Shivnath Mazumder Phys. Chem. Chem. Phys. (2026) 28 (6): 3895–3906. |
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Advantages of discrete variable representation in variational quantum eigensolvers for vibrational energy calculations
Asnaashari; D. Bondarenko; R. V. Krems Phys. Chem. Chem. Phys. (2026) 28 (13): 7900–7912. |
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Unraveling the structural origins of stimulated emission redshift in cyanine dye 1122C: a combined AIMD and machine learning study
Yusuke Minegishi; Kenichiro Saita ; Takuro Tsutsumi; Tetsuya Taketsug Phys. Chem. Chem. Phys. (2025) 27 (37): 19868–19876. |
We hope you enjoy reading the articles in this collection.
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