SC
Shayantan Chaudhuri
Research Fellow in Computational Chemistry (Chemical sciences; Theoretical and computational chemistry)
Publications
- Adiabatic versus non-adiabatic electron transfer at 2D electrode materials
- Electrochemical Ozone Generation Using Compacted High Pressure High Temperature Synthesized Boron Doped Diamond Microparticle Electrodes
- Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces
- Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic–inorganic interfaces
- Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces
- libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
- Eat, sleep, code, repeat: tips for early-career researchers in computational science
- Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors
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Co-workers & collaborators
- RM
Reinhard Maurer
- ZK
Zsuzsanna Koczor-Benda
- JG
Joe Gilkes
- FB
Francesco Bartucca
- LL
Liming Li