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 -...

05 June 2018 6,200 0 View

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. -...

05 June 2018 2,175 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...

02 March 2018 6,413 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...

10 November 2017 4,136 7 View

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

03 April 2017 408 0 View

No title

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...

02 March 2017 7,820 0 View

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

01 February 2017 9,464 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.

31 December 2016 2,936 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...

11 December 2016 5,011 4 View

Help to model aggregation kinetics of nanoparticles with molecular dynamics simulation

31 December 2015 2,274 2 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View