Peter Halat

Pinning this until I submit my thesis #phdlife

Another day another problem solved

In what is a complete surprise the different versions merged without issue

One OneNote Journal Two different devices Two different versions which failed to sync over a few days for no clear reason There can only be only winning revision Will my journals sync or swim?

Me, preparing my mental state to not take feedback on my manuscripts personally #phdlife

Comfort Cup A Soups are back on the menu at this stage of writing🗒️#phdlife

@LeNhanChem Yes hopefully very soon!

@HalatPeter But you are about to defend your thesis. 😎

Pinning this until I submit my thesis #phdlife

The joy of cracking a problem after hours of working at it 🙌

@hemanthhari23 Hi thank you! I used a Drude-oscillator polarisable force field for ionic liquids (pubs.acs.org/doi/abs/10.102…)

@HalatPeter Nice work. Which Force field did you use for the simulations?

Here is my #RSCPoster showcasing some results published in 2021. As an Australian, I might already be asleep but I'll answer any questions in the morning! #RSCDigital #RSCEnergy #RSCPhys #compchem

@hemanthhari23 Hi Hermanth! This is some lovely work. I'm curious, in your benchmarking did you include Drude oscillators on the alkali metals?

Influence of Polarization on the ssDNA - Graphene Interactions #RSCPoster #RSCNano #RSCMat #RSCPhys If you want to know how to improve your MD simulations' accuracy without expensive QM/MM or ab-initio methods, let's talk.

@torsten_john @AbelBernd Hi Torsten, wonderful work on display here! I'm fascinated by the difference between 5mn and 20nm nanoparticles.

Excited to share some highlights of my research on peptide self-assembly at the 2023 #RSCPoster Conference. Nature if full of nanoscale surfaces. How do these surfaces affect peptide structure and self-assembly into amyloid fibrils? #RSCChemBio #RSCPhys #RSCNano @AbelBernd

@pschwllr Hi thank you! The theoretical predictor suggests that ions with a lower dipole moments and lower diffusion coefficients (per molar volume) under an electric field are expected to show more negative OCPs, so these are the characteristics I'd focus on to design new ionic liquids.

@HalatPeter Great work! How would you now use your theoretical predictor to design new ionic liquids?

@gagliardi8 Another descriptor I've dabbled with is looking at interaction energies of the distinct configurations an electric field brings, which is in progress. 2/2

@gagliardi8 Hi Prof. Gagliardi thank you for the question! We chose the dipole moment because it shows how strongly consituent ions reorient themselves (or how their Drude particle pairs split) under the electric field. 1/2

Final milestone done! Now to buckle down and finish this thesis #phdlife

@Excited_Chemist 🙏

When cursing at your reaction just simply isn’t enough to give you high purity and yield… Introducing holy water - for tackling cursed reactions! #chemistry #PhDlife #PhD

It was an absolute honour to be a part of the alumni panel at #ICUR2022 I learned so much. I hope the rest of the conference runs smoothly!

@debbiesilvester Take care! Wishing you a speedy recovery

Looks like the Rona got me….

Glad to have another paper in my portfolio: pubs.acs.org/doi/abs/10.102…