Our recent work in @ChemRxiv proposed a new electrochemical polymerization way to synthesize poly(trisulfides) with precise control of sulfur rank. DFT calculations revealed that precise sulfur rank was ensured by a reversible ‘self-correcting’ mechanism. https://t.co/G92GfYx78i pic.twitter.com/Rwv40H3QBj
— Le Nhan (@LeNhanChem) March 28, 2023
Couples of months ago, I wrote ~400 lines of python codes to prepare inputs for replica exchange with solute tempering (REST) simulations using Gromacs. The code will save your time significantly. Now it is set public; feel free to check it.https://t.co/tMk5GTiLYv
— Le Nhan (@LeNhanChem) November 12, 2022
I am very happy to have contributed to this work on a series of monometallic, homobimetallic, and heterobimetallic complexes of Cu and Zn. 😁https://t.co/jciduBLn0P
— Le Nhan (@LeNhanChem) November 21, 2022
Molecular simulations by @LeNhanChem and Tiff Walsh @DeakinIfm identify design rules for bioconjugation using functional polymer coatings on upconversion nanoparticles. Thanks to @AFOSR for support!https://t.co/6AtyOkmhtk pic.twitter.com/Tte1lJM0gY
— ACS Applied Materials & Interfaces (@ACS_AMI) June 30, 2022
Our paper on surface modification of upconversion nanoparticle is online. The theoretical protocol here can be used to design ligands and polymers on UCNP surface. Check github for force field parameters and UCNP structure. 🥂 https://t.co/ztjNuOggEh
— Le Nhan (@LeNhanChem) June 24, 2022
Accepted😁. Not a huge paper, but this is the first ever theoretical work designed for polymer coating on upconversion nanoparticles. I'll talk more about this paper when it is online. pic.twitter.com/eJway1jHIg
— Le Nhan (@LeNhanChem) June 15, 2022
This week’s #ChemSciPicks from Tiffany Walsh and Le Nhan Pham @LeNhanPham1 at @DeakinIfm looks at predicting biomolecule adsorption on MoS2 nanosheets with high structural fidelity (work supported by @AFOSR) 🎉
— Chemical Science (@ChemicalScience) April 13, 2022
You can read it here, for free: https://t.co/yy7pybZ5I5 pic.twitter.com/F2h9maRjZ3
This depository (Github) contains all crystal structure files (CIF) of several optimized adsorption configurations used to calculate fitting and validation datasets of energy which were employed to fit and validate the MoSu-CHARMM. All adsorption energies in these two data sets can be found in the spreadsheet (Excel file).
I'm thrilled to announce that my @ChemicalScience paper coauthored by Prof. Tiffany Walsh at @DeakinIfm has been selected as Chem Sci Pick of the Week. It will be published in a special collection soon. Stay tuned!
— Le Nhan (@LeNhanChem) March 18, 2022
🍻 pic.twitter.com/Jqg4xZ0FWT
Very excited to share my recently accepted manuscript in @ChemicalScience. A new high-fidelity force field for MD description of interaction between 2D MoS2 and organic materials including peptides and proteins.https://t.co/sR8Lqzcxhi
— Le Nhan (@LeNhanChem) March 16, 2022