Exploring the Melting Process of Ice using Quantum Mechanics

[randomwangran]

Dear Professor,

I hope this message finds you well. I am a student interested in molecular physics, specifically the melting process of ice. I was wondering if it is possible to use quantum mechanics to solve this problem and if so, if you have any recommendations for resources or tools that I can use to start exploring this topic using a computational approach.
I am fascinated by quantum mechanics but the math is quite challenging for me, so I am looking for a way to start with a more accessible project. Any advice or guidance you can offer would be greatly appreciated.

Thank you for your time and consideration.

Best regards,

Ran

[mhjensen]

Dear Ran, thx so much for your question. The most common approach is using molecular dynamics (no quantum mechanics), see for example https://aip.scitation.org/doi/10.1063/1.1471556 If you do quantum mechanics, path integral Monte Carlo is one of the possibly best approaches, see https://pubs.rsc.org/en/content/articlelanding/2012/cp/c2cp40962c Hope these references can be of some use. Best wishes, Morten Morten Hjorth-Jensen, Michigan State University, USA and University of Oslo, Norway, http://mhjgit.github.io/info/doc/web/

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On Feb 2, 2023, at 1:15 AM, randomwangran ***@***.***> wrote: Dear Professor, I hope this message finds you well. I am a student interested in molecular physics, specifically the melting process of ice. I was wondering if it is possible to use quantum mechanics to solve this problem and if so, if you have any recommendations for resources or tools that I can use to start exploring this topic using a computational approach. I am fascinated by quantum mechanics but the math is quite challenging for me, so I am looking for a way to start with a more accessible project. Any advice or guidance you can offer would be greatly appreciated. Thank you for your time and consideration. Best regards, Ran — Reply to this email directly, view it on GitHub <#20>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AAU3HGOA2RDV6IDX5BKGHLTWVL4DVANCNFSM6AAAAAAUOLY7DE>. You are receiving this because you are subscribed to this thread.