Reaxff MD simulation?

More Hamidreza Shadman's questions See All

Please introduce AI website for paper review like Chat GPT?

01 March 2024 3,173 5 View

How to generate coarse grained force field parameters (.ito and .top files) for Gold nanoparticles?

I have generated a full atomistic Au nanorod. Also it requires to use CG simulation. I cannot find any .ito and .top files for it based on Martini FF. Is there anybody help me? Cheers

27 December 2023 6,971 1 View

Kinematic transformation of CA spindle-tilting machine?

Hi dear colleagues, I failed to find the transformation matrix from the 3-axis (workpiece coordinate) to the 5-axis XYZAC (machine coordinate) table-tilting setup. Does anyone know any source?

07 November 2023 6,284 0 View

P value and level of significance?

I am working with the cause of preference for employees in a specific sector using PLS-SEM. My model fits well and all path coefficients are positive. But for one hypothesis or relations p value...

11 October 2023 6,765 4 View

Clarification on "Space of Economy" vs "Place of Economy" - Seeking Insights from Scientific Articles?

Dear Researchers, I hope this message finds you well. I am currently delving into the concepts of "space of economy" and "place of economy," particularly in the context of economic geography,...

19 August 2023 3,196 2 View

What inflammatory biomarkers should be measured in individuals with non-alcoholic fatty liver disease(NAFLD)?

There are many biomarkers such as TNf-Alpha, CRP, and IL-1, but I'm looking for some novel biomarkers to measure.

21 March 2023 5,346 2 View

How can I disperse C3N4 nanosheets?

After sonicating, my solution precipitated, pleased help me.

13 August 2022 7,313 0 View

How do we calculate the sublimation energy in f titanium in vacuum?

I was trying to calculate the sublimation energy but of Ti in 10^-8 torr. I understand that sublimation energy equals: E(delta t in solid)+E(solid to liquid)+E(delta t in liquid)+E(liquid to...

20 November 2021 1,169 3 View

What happens if the autocorrelation is considered incorrect in volatility estimation?

In time series modeling and volatility estimation it is necessary, first remove autocorrelation of time series and after that estimate the volatility model (like GARCH). the autocorrelation...

02 October 2021 2,488 4 View

What are the required material properties to perform fatigue simulation using ANSYS SMART?

Hello dear colleagues, I couldn't figure out what are the required material properties to perform fatigue simulation using ANSYS SMART. What should I add to predefined structural steel to proceed...

05 September 2021 4,647 2 View

Feedback defines the constitution of an organism?

“Here is a thought experiment. Let's place Rodolpho Llinas's jarred-brain on top of a body (Fig. 1). I bet Llinas would argue that his jarred-brain retains its own consciousness, and the android...

11 August 2024 2,483 1 View

Text-Communication from the M1 Hand Area using BCI—and then there is Elon Musk?

Willett, Shenoy et al. (2021) have developed a brain computer interface (BCI) that used neural signal collected from the hand area of the motor cortex (area M1) of a paralyzed patient. The...

10 August 2024 7,180 0 View

Can we mark 'EFL Learners shifting from general digital to AI technologies' as technological transition?

After COVID-19 it has seen that EFL learners technological affiliation has raised. In addition, in the post-COVID period learners started to engage AI technologies like ChatGPT while learning...

08 August 2024 8,964 4 View

What are examples of AI for good projects a teacher can assign to students?

So I am organizing an AI seminar. What are possible AI projects in the AI for good spirit? something the students can do and have an impact?

08 August 2024 9,437 4 View

Self-Organizing Superorganisms—as envisaged by Nenad Sestan (2018)?

The rate of glucose consumption by the neocortex is reduced by over 80% during anesthesia (Sibson et al. 1998), which disables the synapses (Richards 2002) that are inundated by glial tissue (Engl...

08 August 2024 3,118 0 View

How to design human-centered classroom in the age of A.I.?

08 August 2024 347 5 View

How to increase simulation box size?

We intend to study the interaction between peptides and polymer (like PP, PE and PS) through MD simulations using Martini force fields ( Martini 2 for PP and Martini 3 for PE, PS). We have...

08 August 2024 4,842 0 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...

06 August 2024 1,495 2 View

Do experts have journals in the field of artificial intelligence and big data that are not indexed by SCI or EI?

05 August 2024 8,836 2 View

Measuring the Intelligence of a Species?

Larger brains, which typically contain more neurons, store and transfer more information (Tehovnik and Chen 2015), but the precise relationship between number of neurons and information has yet to...

05 August 2024 1,238 2 View

Michael Sadovsky

Whether it helps, or not, STRONGLY depends on the specific problem you are doing.