Editorial Board
Leonardo Bernasconi MSc
University of Pittsburgh, Pittsburgh, PA · United States
Editorial leadership for Journal of New Developments in Chemistry ISSN 2377-2549
Research interests
- Quantum Chemistry
- Computational Chemistry
- Density Functional Theory
- Molecular Dynamics
- Electronic Structure
- Quantum Mechanics
- Biochemistry
- Physical Chemistry
- Computational Materials Science
- Molecular Modeling
Biography
Postgraduate
- 2022-2023 An introduction to density-functional theory - University of Pittsburgh
- 2020-2021 An initio simulations I: Density-functional theory - University of Pittsburgh
- 2020-2021 An initio simulations II: Ab initio molecular dynamics - University of Pittsburgh
- 2013-2018 Quantum chemistry - CCP5 summer school, Universities of Manchester and Lancaster
- 2013-2018 Density-functional theory - CCP5 summer school, Universities of Manchester and Lancaster
Selected publications
- Catalytic Oxidation of Water with High-Spin Iron(IV)–Oxo Species: Role of the Water Solvent 2017 cited 49×
- Water Participation in Catalysis: An Atomistic Approach to Solvent Effects in the Catalytic Isomerization of Allylic Alcohols 2018 cited 27×
- Density-functional theory models of Fe(iv)O reactivity in metal–organic frameworks: self-interaction error, spin delocalisation and the role of hybrid exchange 2020 cited 17×
- Time-Dependent Density-Functional Theory for Modeling Solid-State Fluorescence Emission of Organic Multicomponent Crystals 2018 cited 13×
- Electronic structure and reactivity of Fe(iv)oxo species in metal–organic frameworks 2019 cited 12×
- Machine Learning Electron Density Prediction Using Weighted Smooth Overlap of Atomic Positions 2023 cited 10×
Ranked by citation impact (Crossref) where available, newest otherwise · verified via ORCID.
Considering JNDC for your work?
This journal is guided by Leonardo Bernasconi (University of Pittsburgh, Pittsburgh, PA) and a peer-review board of practising researchers. Open access, author-retained copyright (CC BY), and a clear editorial process.