Recent content by tesla_sm

I don't thinks this work lies completely in the purview of Molecular Dynamics, but since the experiment needs to solve for energetics of equilibration of particles in a biphasic medium I don't know what other technique can help me out. As I saw Avogadro too, it is pretty same as Molfacture that...

Thanks ModestyKing for the insight. I consulted my university professor regarding the same, for which we came down to simplifying the problem so as to reduce computational requirements. We intend to employ 'hard sphere'/'billiard ball' model for the metal nanoparticles - since we are not really...

I am trying to model metal NPs capped with organic agents to simulate their phase transfer behavior from aqueous to organic. Not doing computational chemistry courses has had me to disadvantage. Would love some initiation or a jump start primer for the same. Looking forward for cues to get me...

Hello this is Shubham from BITS Pilani. Senior year Chemical Engg undergrad. Looking forward for some great discussions and a great year.