Hirak Chatterjee

15 Questions 20 Answers 0 Followers

Questions related from Hirak Chatterjee

How to correct the Semiconductor module error?

I have encountered with the following error when I coupled wave optics and semiconductor module together. Please help. Division by zero. - Function: / Failed to evaluate expression. -...

06 June 2018 2,242 0 View

How to get free from the error 'Undefined variable comp1.Ne'?

Dear Colleagues, I want to simulate a 3D MOSFET using semiconductor module. But, I am getting this error in the source domain: Undefined variable. - Variable: comp1.Ne - Geometry: geom1 -...

06 June 2018 6,390 0 View

How to calculate optical conductance from the optical dielectric constants?

I need to make a database for optical conductivity of materials from their respective frequency dependent optical permittivity. The unit of optical conductance should be in S/cm. I went up to many...

03 March 2018 6,472 0 View

How to knit the space between two concentric ellipsoid surfaces to make it a solid shell?

Dear Colleagues, I have designed a pair of concentric ellipsoids, which are needed to be connected with each other to form a solid shell in .STL format. Can I join them together? Please...

11 November 2017 4,210 7 View

How to calculate molar ionic conductivity from the effective electrophoretic mobility value for levodopa @pH=7?

I have the value for effective electrophoretic mobility of levodopa as -3.9623 cm2V-1s-1. Kindly refer me the required step for calculating the value of molar ionic conductivity for the same. The...

04 April 2017 468 0 View

What is the multiplicative factor to express the Gaussian calculated values of polarizability (α, a.u ) in terms of polarizability volume (α, cm^3 )?

I have obtained these data from Gaussian-09 package using keywords "freq polar" using B3LYP/6-31G++(d,p) exchange-correlation functionalExact polarizability: 190.335 2.070 169.585 11.327 -3.895...

03 March 2017 7,874 0 View

How can I find the structure given as gaussian archived entry file?

Recently I was dealing with a nice literature, in which the authors have provided an optimized structure of L-DOPA in a GAUSSIAN archived entry file. Can I convert the file into .mol format? The...

02 February 2017 9,550 4 View

What are the frontier journals for Plasmonics?

I am working with plasmonic nanomaterials. Please name the frontier journals where I may publish my research works. Thank you.

01 January 2017 2,994 1 View

What is the symmetry of a structure when Td and Oh point groups coincide/superimposed?

Since both the Td and Oh point groups belong to cubic symmetry, if we consider any structure in which the center of mass of both the structure coincide together, then what will be symmetry for the...

12 December 2016 5,084 4 View

Help to model aggregation kinetics of nanoparticles with molecular dynamics simulation

I am a newbie in molecular dynamics. My basic study was to elucidate the growth process of nanoparticle evolution in which two bunches ( similar or different in size) of atomic aggregates...

01 January 2016 2,336 2 View

Help to model aggregation kinetics of nanoparticles with molecular dynamics simulation

I am a newbie in molecular dynamics. My basic study was to elucidate the growth process of nanoparticle evolution in which two bunches ( similar or different in size) of atomic aggregates...

01 January 2016 4,642 2 View

How can I model growth of copper nanoparticles in water using molecular dynamics simulation?

I would like to know how to model the mean square deviation of copper nanocluster size from its nucleation with time. I am a newbie in this field, and I don't have much idea about how to carry it...

11 November 2015 9,112 2 View

How to model aggregation kinetics of nanoparticles with molecular dynamics simulation?

LAMMPS,

04 April 2015 9,390 0 View

What the phrase "this work is better suited for a more specialized journal" does really mean?

I have communicated some of my works for publication, but each of the editors sent them back with the aforementioned comment. I want to find my shortcomings which are restraining me for getting...

01 January 1970 6,937 0 View

What is the value of polarizability of L-Dopa ?

Can anyone please find me the polarizability value for L_Dopa @ pH=7? Thanks.

01 January 1970 2,776 2 View