Could anyone point to molecular mechanics force fields for selenium nanoparticles?

More Neha S Gandhi's questions See All

How do we calculate curvature value in ArcGIS?

Hello everyone, I am trying to prepare curvature map in ArcGIS 10.4, using spatial analyst tool. I am using 10 m CartoDem (projected in UTM 44N). I am getting very different value, curvature...

12 January 2021 504 4 View

Random effect model shows error while running panel data?

I have panel data comprises 5 cross sections across 14 independent variables. the data time series part is 10 years. while I run the panel data model for pooled OLS and FE model it gives results...

24 November 2020 8,662 3 View

While performing DFT studies of some hetro compound in different solvents, unusual results are obtained in case of methanol. what could be the reason?

DFT Study of some heterocyclic based compound is being done in solvents of different polarity. It was observed that the potential energy barrier in methanol comes out to be exceptionally high....

15 October 2020 9,303 5 View

How to simulate motion of microneedle into tissue in COMSOL?

Hi, I am new to COMSOL and need to simulate the microneedle penetrating the tissue. I have both my tissue and probe design ready in solid mechanics. How do I add prescribed velocity to the...

14 October 2020 3,823 3 View

Can you suggest me deep learning architecture/model (Unsupervised learning) for text classification?

I have an idea of 1. RNN Embedding 2. RNN with pack padded sequence 3. FastTest 4. Bi-LSTM 5. CNN 6. CNN-LSTM 7. BERT Transformer these models. I am looking model apart form these.

10 October 2020 8,102 7 View

Would like to have suggestions on latest books having recent developments on Green Buildings. Can any one suggest please?

Would like to have suggestions on books I could read having recent developments in Green Buildings.

28 September 2020 2,293 7 View

How to run Seismic analysis for the following model in OpenSees..?

I have developed a 3 bay 5 story 2D frame in Opensees but I have problems with element load and application of seismic load in Opensees using an acceleration file. I always got an error namely...

27 September 2020 5,885 4 View

3D model for a nanoparticle embedded refractive index based planar waveguide?

Dear All, I kindly ask about useful references and papers related to build the 3D-geometry for a nanoparticle embedded refractive index based planar waveguides. All the relevant literature do not...

25 September 2020 9,136 2 View

How can I simulate a DOS attack in 5G?

I have been using NetSim simulator and now I want to try to simulate a DOS attack in 5G. Can someone guide me on the best way to implement this in NetSim?

27 May 2020 9,187 6 View

Please suggest full form for SOM?

Please suggest full form for SOM in reference to data mining, machine learning and data science except Self organising maps. i have used the abbreviation SOM in my topic of research that stands...

20 May 2020 8,515 9 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

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 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

I need to image mesoporous silica nanoparticles that are in ~100 nm size and do high resolution TEM to look at mesopores. what grids should I use?

Need to image mesoporous silica nanoparticles using the TEM. Also, need high resolution TEM images to see the mesoporous structure. Kindly suggest what kind of grids to use. Thanks, Shatadru

02 March 2021 1,787 2 View

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...

02 March 2021 4,910 3 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View