Donal Mackernan (@mackernandonal) 's Twitter Profile
Donal Mackernan

@mackernandonal

Physicist with a focus in advanced simulation applied to materials and biology, quantum dynamics and chaos.

ID: 843045192978567173

calendar_today18-03-2017 10:23:31

269 Tweet

40 Takipçi

196 Takip Edilen

Donal Mackernan (@mackernandonal) 's Twitter Profile Photo

Need a better way to estimate kinetic properties such as rate constants that can run on community MD engines such as OPENMM, LAMMPS, and GROMACS? Feel comfortable with Python? OPS 1.3 may be for you.

Donal Mackernan (@mackernandonal) 's Twitter Profile Photo

A roadmap for the coarse-graining and multiscale simulation community bit.ly/36c3FEK has been posted E-CAM summarising a community-driven review bit.ly/3cEkZ6z in J. Chem. Phys. on the history, developments, and challenges, and how they may be addressed.

Aoife McLysaght (@aoifemcl) 's Twitter Profile Photo

In Independent Scientific Advocacy Group (ISAG) meeting this morning we heard that there are worrying signs that current restrictions are not strict enough. One thing we need to do urgently is quarantine travellers. It’s never too late to introduce quarantine. Things can always get worse. Paul Dempsey (@[email protected])

Donal Mackernan (@mackernandonal) 's Twitter Profile Photo

Mobile phones can be used to locate and contact people. Why not use it as a voluntary alternative to mandatory hotel quarantine for people arriving from abroad. Voice recognition could be used to facilitate police/health ministry surveillanc3#covid19

arXiv.org (@arxiv) 's Twitter Profile Photo

arXiv is free to use, but not free to operate. If everyone who visits arXiv this month gives just one dollar, we would meet our annual operating budget and be able to save for future financial sustainability. Considering donating here: bit.ly/arXivDONATEc

Donal Mackernan (@mackernandonal) 's Twitter Profile Photo

If any government can get their hands on Pegasus spyware, including ones with gruesome records of political repression such as Saudia Arabia, that presumably powerful criminal networks can too. This is very disturbing.

Donal Mackernan (@mackernandonal) 's Twitter Profile Photo

"Exciting and useful paper from Fraasek, Arjun and Bolhuis - - An extended autoencoder model for reaction coordinate discovery in rare event molecular dynamics datasets" — doi/10.1063/5.0058639 or Read it on ResearchGate: researchgate.net/publication/35…

Robert O'Donnell 🌹🇵🇸🇮🇪 (@robertoginger) 's Twitter Profile Photo

If we invested in building off shore wind farm, Ireland would have the potential to be a net exporter of energy to Europe & the Atlantic. The fact the government doesnt see a massive source of basically free revenue sitting on our beaches is extraordinary.

Donal Mackernan (@mackernandonal) 's Twitter Profile Photo

Happy St. Patrick’s Day!☘️ A moving video from the Irish gov. this year in solidarity with Ukraine. m.youtube.com/watch?v=2vRx6C…

Aoife McLysaght (@aoifemcl) 's Twitter Profile Photo

Hello ... this idea that a woman is a walking womb/incubator is largely responsible for the fatally bad abortion restrictions that we used to have in Ireland.

Syma Khalid (@profsyk) 's Twitter Profile Photo

Humiliation. Currently at college breakfast. Only summer camp kids and conference guests are around. I got my tray and was about to walk up the stairs to high table and I heard a kid say to her mate ‘OMG look at her, she’s going to sit on the professor’s table’ - giggling ensued.