How to interpolate from a time-series database ?

Hi, I am having trouble with a problem, in the field of Optimal Control and the generation of optimal time-series. Let's consider a system, whose dynamics are represented by dx/dt =...

24 February 2021 9,105 2 View

Are international conferences a dying species?

In our discipline (chemistry), annual meetings of the American Chemical Society (ACS) used to be mega-events with up to 20,000 participants. The current one will be virtual, and the organizers...

06 January 2021 1,882 5 View

How to avoid rejection of your research paper?

Despite certain disadvantages, peer-review is generally accepted as a quality control of manuscripts submitted to scientific journals. The higher the rank of the journal, the more often...

03 December 2020 3,235 17 View

How important are citations? Are they overrated?

Citations of research papers are the topic of various threads on this platform. Quite often researchers ask how to increase the number of citations. I did my first 30 years of chemical research in...

01 December 2020 6,173 94 View

How to find the number cells in each LSTM hidden layer from python code?

LSTM has two hidden layers, I want to know the number of cells in each hidden layer.

30 November 2020 3,481 4 View

How can we sell chemistry to the public?

Chemistry is frequently termed the "central science". It underlies the foundation of modern civilization (drugs, plastics, textiles, dyes, fertilizers etc.), but the public perception of chemistry...

30 November 2020 1,113 15 View

How can chemistry help fighting COVID-19?

Chemistry is frequently termed the "central science". As such, chemistry is expected to play a major role in fighting the coronavirus. For example, hand sanitizers and drugs are all based on...

30 November 2020 4,983 17 View

What was your most exciting research achievement?

As dedicated researchers we all try to contribute to the advancement of our discipline. Often the work can be routine, but occasionally there are some real highlights. Can you please share your...

23 November 2020 4,150 20 View

Is vertical farming the future of agriculture?

Please provide your opinion on vertical farming. Is it the future of agriculture? If yes, where is it most promising (areas, countries cities etc.)?

17 November 2020 3,934 97 View

Is peer-review censorship or necessary evil?

Most researchers have made individual experiences with publishing in peer-reviewed journals. What is your opinion about the peer-reviewing process in general? In your opinion, is it "censorship",...

28 October 2020 3,631 97 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

Does the pressure(-600 mmHg) affects pH?

When I conducted the degassing experiment using decompression under anaerobic condition(and I used ferrous based chelating agent), the oxidized ferric were observerd. So, could you tell me the...

03 March 2021 4,892 5 View

In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein?

Hi In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein? I got this error in the add-ion stage: Fatal error "./ amber99sb-ildn-HHH.ff / force...

01 March 2021 8,747 4 View

What are the new 2D nanomaterials were used for Silver nanoparticles stabilization?

In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...

01 March 2021 2,207 3 View

How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View

What is Flat Lens Antenna?

28 February 2021 5,433 3 View

How can I assign a velocity along one direction to CO2 molecules in a molecular dynamics simulation using GROMACS?

Dear all, I am trying to perform a MD simulation about the interaction between CO2 and a polymer. I create my model, solvate it and perform the NVT and NPT equilibration. Now I am not able to...

26 February 2021 10,014 3 View

How does GROMACS calculate the average structure of proteins?

I want to get a average structure from a pdb file containing multiple models. I used the command below: gmx cluster -f input.pdb -s topol.tpr -cutoff 20 -method gromos -av GROMACS...

25 February 2021 6,314 1 View

How does charge on working electrode changes with rising potential?

During performing CV of a GCE or modified GCE, we rise the potential in the first half of the cycle and reduce it in reverse half. During the first half, what is the nature of charge on GCE or...

25 February 2021 7,994 3 View

How to delaminate copper in water-based anodes?

Hello everyone, I'm looking for a way to delaminate copper current collector of water-based anodes in Li-ion batteries without damaging the graphite film. I tried different materials such as HNO3...

24 February 2021 3,785 3 View