Does any one know Molecular dynamics software name for Embedded atom method?

More Mohammad Zahidul Hossain Khan's questions See All

Does anybody has idea Object Oriented MicroMagnetic Framework (OOMMF)?

I want to do some magnetic property calculation. For this reason I want to get some idea about this software from some user.

31 December 2018 7,859 0 View

What are the differences between Bulk iron and nanocluster iron MD simulation for radiation damage?

I want to md simulation on nanocluster iron for radiation damage at 300K. Is it difference just for periodic boundary condition or anything else like constant temp, heat sink etc?

11 December 2018 1,750 0 View

Why I am getting same simulation with or without PKA velocity?

I am doing md simulation for radiation damage in FCC iron. Here is my input script: I have tried this script with and without pka velocity and getting exact same simulation. my target is to...

08 September 2018 6,847 0 View

Does anyone know how to use Atomicrex for generating EAM potential?

Hi Atomicrex user, I want to generate EAM potential for Fe (FCC structure) also, I want generate for Fe-O. Can anyone help me on that things?

03 April 2018 6,052 0 View

Need help for hybrid pair potential?

I am trying to follow one journal where potential is complicated to me. I have written my way. Still, it needs several improvements. Can anyone help me with it? Any kind of suggestion would be...

03 April 2018 4,457 2 View

How can I get EAM potential for FCC iron structure?

Hi Everyone I want to do MD simulation for radiation damage in FCC iron structure. I have found EAM potential for BCC iron structure. Do you think, I can use same file for my system just...

03 April 2018 7,313 4 View

Does anyone know the potential for Iron core iron oxide?

I want to do MD simulation for radiation damage by Si in iron core Iron oxide (Fe-Fe3O4). I want to know, which potential would be good for this system. Do you think EAM force field or ReaxFF...

02 March 2018 2,840 0 View

Can anyone help me for the ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (../npair_full_bin_atomonly.cpp:90)?

Dear Lammps users, I am trying to simulate radiation damage on Fe_Fe3O4 structure. I am getiing error which is shown below. ERROR on proc 0: Neighbor list overflow, boost neigh_modify one...

02 March 2018 1,860 2 View

Can anyone help my why my oxygen particle is not moving during simulation?

Hi everyone I have attached two image. one is before simulation and another is during simulation. Can anyone tell me why my oxygen particle is not contributing on the simulation? #...

02 March 2018 4,730 2 View

Can anyone help me for Pair coefficient of iron_core_iron_oxide?

Hi I want to do MD simulation for Iron_core_iron_oxide. Basically I will see the radiation damage for this iron core oxide shell. I am new in material MD simulation. I have some basic idea for MD...

02 March 2018 1,745 3 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

1. If I can quantize the atom using this hyperbolic spiral and classical physics, could nature do the same?

If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...

07 August 2024 5,343 2 View

Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

07 August 2024 2,598 1 View

Should I include H atom into C3N5 when i am doing DFT modelling?

Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...

07 August 2024 8,414 2 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

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,727 4 View

Why reactivity isn't increased with more empty spots in valence shell?

If from a geometric perspective the non-halogens, non-noble gases have more empty spots in their valence shell, and the filling/exiting of any of the empty spots in the shell constitutes a...

03 August 2024 4,787 2 View

How to start a Molecular Dynamics Simulation?

Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...

03 August 2024 3,371 3 View

Why do paired electrons atoms produce no magnetic field lines?

If you think of electrons with spin as bar magnets, you know bar magnets of opposite polarity as long as they're not occupying the same spatial location don't cancel out each other's magnetic...

03 August 2024 3,927 2 View

Which will be the best software for the Hydration shell analysis with molecular dynamics?

I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?

02 August 2024 3,143 4 View

Maryam Kowsar

Dear Mohammad,

A popular MD package for EAM could be LAMMPS. Anyway, it depends on the case you want to study.

Good Luck!

Mohammad Zahidul Hossain Khan

Thank you very much.

Ramin Ekhteiari Salmas

Please let us know more about your systems....

Viorel Chihaia

EAM is just a potential, which is available in many MD codes. See for example LAMMPS, GULP or DLPOLY.

Weidong Wang

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator, and distributed as an open source code under the terms of the GPL.

Please refer to the webpage: http://lammps.sandia.gov/

Jit Sarkar

The best MD package for EAM which I generally use is LAMMPS !! Its an open source free software. Kindly check this link below-

http://lammps.sandia.gov/download.html