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CompPhysics / ComputationalPhysics2

Advanced course in Computational Physics, see texbook at http://compphysics.github.io/ComputationalPhysics2/doc/LectureNotes/_build/html/ with an emphasis on computational quantum mechanics, machine learning and quantum computing.
http://compphysics.github.io/ComputationalPhysics2/doc/web/course
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Exploring the Melting Process of Ice using Quantum Mechanics #20

Open randomwangran opened 1 year ago

randomwangran commented 1 year ago

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 commented 1 year ago

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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