CompPhysics
Exploring the Melting Process of Ice using Quantum Mechanics
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
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/
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
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