I want to make a 3d qsar model for a series of compounds. I am planning to do an MIF based QSAR, preferably using CoMFA. Please suggest a free and open source tools for this.
Dear community members, I am currently engaged in research on Fuel Cell Systems, specifically exploring the integration of a hydrogen generation system with the fuel cell. Traditionally, hydrogen...
11 July 2023 2,990 1 View
Especially when it comes to applications of AI in health care for diagnosis and treatment planning of diseases.
02 July 2023 6,266 12 View
As many of you may already know imine shows 3 types of bond exchange mechanisms (exchange, hydrolysis, metathesis). I have been trying to chemically degrade the vitrimer I have prepared using...
19 June 2023 2,194 0 View
I am working with breast cancer cells. It's a general fact that each cell lines have its own morphological appearance. but I am looking for the mechanism responsible for the morphological...
20 February 2023 2,607 2 View
I have a cubical RVE and I want to cut multiple ellipsoidal holes in it. I have a python script for this but when I run the script in Abaqus it gives an error "Cutting operation failed because the...
24 June 2021 6,003 3 View
I have a cubical RVE. Multiple spherical and ellipsoidal holes have been cut in the RVE. I need an element set for each of their surface. It is difficult to do this manually for multiple spherical...
11 June 2021 9,782 6 View
IF we capture every light reflection from every reflecting particle, would we be able to capture and store the events as they unfold? As an extension, would it be possible to create a network of...
17 April 2021 3,683 0 View
I have a model of a cube with a cavity inside. This cavity needs to be filled with an incompressible fluid. The surface surrounding the cavity should have user elements.
23 March 2021 8,466 0 View
I have a hollow cube with a cavity at the centre. This cavity should be filled with an incompressible liquid. When I use the fluid cavity constraint on abaqus and run my input file, I get a...
22 March 2021 2,278 0 View
Clinical Situation: Subgingival fractured teeth with compromised crown -root ratios. Question: Is it possible to gain alveolar crestal bone through extrusion biomechanics and achieve clinically...
09 March 2021 2,440 1 View
Dear fellow researchers, I am currently working on a paper where I need to provide a reliable reference that defines and distinguishes between 3D mesh models and 3D city models. Although I am...
06 August 2024 9,986 2 View
I am seeking experimental or applicable data for the liner (LLDPE) interface in FLAC3D numerical modeling of a large stockpile. Could you please recommend suitable references? The preferred data...
05 August 2024 3,665 0 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View
The first step is to analyze a 2D molecular graph and implement partitioning techniques to calculate the topological indices. Secondly impose statically tools to generate QSPR model, may or may...
24 July 2024 9,644 1 View
Dear All, I use Quantum Espresso. I want to optimize the structure of the carbon nanotube using the vc-relax. I got confused about how to fix cell_dofree here. For 3D, cell_dofree = 'all' or...
22 July 2024 5,708 0 View
Hello, I have a problem in classification of "Additive Manufacturing" techniques. There are several classification for Additive Manufacturing e.g. Powder, Extrusion, Resin etc. Actually, I am OK...
15 July 2024 139 3 View
Anyone kindly tell the name of software that make this graph quickly and also tell how we add vertices or lines in this graph with equal distance to get next dimensions of this graph ( i mean how...
11 July 2024 4,499 2 View
Les géopolymères offrent plusieurs propriétés intéressantes qui peuvent être exploitées dans diverses applications innovantes : 1. Construction durable : - Bétons à faible empreinte carbone -...
10 July 2024 7,457 1 View
I want to reduce simulation time in CST for frequency domain solver by upgrading my computer. I already have discrete GPU but it doesn't seem to make any difference at all compared to integreted...
10 July 2024 2,789 4 View
I have a 3D output in the figure section of Matlab, does anyone know a way to transfer it to Abaqus or Ansys? Or in what format should I save it so that these analysis software can analyze it?
09 July 2024 9,226 3 View