Chemical space analysis and property prediction for carbon capture amine molecules
- James McDonagh
- Stamatia Zavitsanou
- et al.
- 2022
- ChemRxiv
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30 results for Flaviu Cipcigan
Hydrogen bonding and molecular orientation at the liquid-vapour interface of water
- Flaviu Cipcigan
- V. P. Sokhan
- et al.
- 2015
- Physical Chemistry Chemical Physics
MDLab: AI frameworks for carbon capture and battery materials
- Bruce Elmegreen
- Hendrik F. Hamann
- et al.
- 2023
- Frontiers in Environmental Science
Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics
- Payel Das
- Tom Sercu
- et al.
- 2021
- arXiv
Membrane Binding of Antimicrobial Peptides Is Modulated by Lipid Charge Modification
- Patrick W. Simcock
- Maike Bublitz
- et al.
- 2021
- JCTC
Electronic coarse graining: Predictive atomistic modeling of condensed matter
- Flaviu Cipcigan
- Jason Crain
- et al.
- 2019
- Reviews of Modern Physics
Accelerating molecular discovery through data and physical sciences: Applications to peptide-membrane interactions
- 2018
- Journal of Chemical Physics
High-response piezoelectricity modeled quantitatively near a phase boundary
- Dennis M. Newns
- Marcelo A. Kuroda
- et al.
- 2017
- Applied Physics Letters
Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed
- Flaviu Cipcigan
- V. P. Sokhan
- et al.
- 2016
- Journal of Computational Physics
MDLab: AI frameworks for Carbon Capture and Battery Materials
- Bruce Elmegreen
- Hendrik Hamann
- et al.
- 2025
- Frontiers in Environmental Science