About Project-base Services

LAMMPS Tube team has started its professional activities since 2018 and the project-based services are as follows:

  • Research
  • Modeling
  • Simulation
  • Paper publishing
  • Technical support

The team provides both academic and industrial molecular dynamics services.
The project-based service contains undergraduate and graduate student. Consultation for thesis simulation and training in various science/engineering fields including:

  • Physics
  • Chemistry
  • Mechanical
  • Civil
  • Chemical
  • Electrical
  • Aerospace
  • Biomedical
  • Renewable energy
  • Fossil fuel
  • Power
  • Architecture
  • Hydraulic structures
  • …

We do your molecular dynamics project (by using LAMMPS package) with following advantages for our clients:

  • High quality simulation
  • Minimum services fee
  • Online project management
  • Rare tutorials
  • Contacting the best MD experts
  • Offline training course
  • 24/7 online support

The main major models you can order to be done by LAMMPS Tube team are as follows:

  • Multiphase
  • Chemical reaction
  • Heat transfer
  • Mass transfer
  • Mechanical behavior
  • Fluid-Channel systems
  • Drug Delivery
  • Phase transition
  • Bio-structures
  • …

Very of our molecular dynamics experience are listed below:

  • Flow analysis inside atomic channels
  • Investigating the heat transfer performance of various atomic structures
  • Mass transfer processes like evaporation, cavitation, condensation
  • Thermal analysis of heat exchangers like shell and tube an plate heat exchanger
  • Chemical reactions and species transport in chemical –based structures
  • Melting and solidification (phase transition) processes
  • Heat transfer analysis of non-concentric and concentric tubes
  • Simulation of drug delivery process (nano-pumping and etc.)
  • Heat transfer analysis in porous media and effective heat transfer coefficient
  • Mechanical analysis in various nanostructures.
  • Droplet was moving analysis in two dimensions as well as three dimensions
  • …

Some of our published/presented projects are listed below:

Journal Publications

  • Jolfaei, N. A., Jolfaei, N. A., Hekmatifar, M., Piranfar, A., Toghraie, D., Sabetvand, R., & Rostami, S. (2019). Investigation of thermal properties of DNA structure with precise atomic arrangement via equilibrium and non-equilibrium molecular dynamics approaches. Computer Methods and Programs in Biomedicine, 105169. doi:10.1016/j.cmpb.2019.105169.
  • Sabetvand, R., Ghazi, M. E., & Izadifard, M. (2020). Studying temperature effects on electronic and optical properties of cubic CH3NH3SnI3 perovskite. Journal of Computational Electronics, 19(1), 70–79. doi:10.1007/s10825-020-01443-3.
  • Ashkezari, A. Z., Jolfaei, N. A., Jolfaei, N. A., Hekmatifar, M., Toghraie, D., Sabetvand, R., & Rostami, S. (2019). Calculation of the thermal conductivity of Human Serum Albumin (HSA) with equilibrium/non-equilibrium molecular dynamics approaches. Computer Methods and Programs in Biomedicine, 105256. doi:10.1016/j.cmpb.2019.105256.
  • Asgari, A., Nguyen, Q., Karimipour, A., Bach, Q.-V., Hekmatifar, M., & Sabetvand, R. (2020). Develop Molecular Dynamics Method to Simulate the Flow and Thermal Domains of H2O/Cu Nanofluid in a Nanochannel Affected by an External Electric Field. International Journal of Thermophysics, 41(9). doi:10.1007/s10765-020-02708-6.
  • Karimipour, A., Jolfaei, N. A., Hekmatifar, M., Toghraie, D., Sabetvand, R., & Karimipour, A. (2020). Prediction of the interaction between HIV viruses and Human Serum Albumin (HSA) molecules using an equilibrium dynamics simulation program for application in bio medical science. Journal of Molecular Liquids, 113989. doi:10.1016/j.molliq.2020.113989.
  • Asgari, A., Nguyen, Q., Karimipour, A., Bach, Q.-V., Hekmatifar, M., & Sabetvand, R. (2020). Investigation of additives nanoparticles and sphere barriers effects on the fluid flow inside a nanochannel impressed by an extrinsic electric field: A molecular dynamics simulation. Journal of Molecular Liquids, 114023. doi:10.1016/j.molliq.2020.114023.
  • Hekmatifar, M., Toghraie, D., Khosravi, A., Saberi, F., Soltani, F., Sabetvand, R., & Goldanlou, A. S. (2020). The study of asphaltene desorption from the iron surface with molecular dynamics method. Journal of Molecular Liquids, 114325. doi:10.1016/j.molliq.2020.114325.
  • Mosavi, A., Hekmatifar, M., Alizadeh, A., Toghraie, D., Sabetvand, R., & Karimipour, A. (2020). The molecular dynamics simulation of thermal manner of Ar/Cu nanofluid flow: The effects of spherical barriers size. Journal of Molecular Liquids, 114183. doi:10.1016/j.molliq.2020.114183.
  • Zheng, Y., Zhang, X., Nouri, M., Amini, A., Karimipour, A., Hekmatifar, M., Sabetvand, R., Karimipour, A. (2020). Atomic rheology analysis of the external magnetic field effects on nanofluid in non-ideal microchannel via molecular dynamic method. Journal of Thermal Analysis and Calorimetry. doi:10.1007/s10973-020-10191-2.
  • Ibrahim, M., Saeed, T., Hekmatifar, M., Sabetvand, R., Chu, Y.-M., Toghraie, D., & Iran, T. G. (2021). The atomic interactions between Histone and 3LPT protein using an equilibrium molecular dynamics simulation. Journal of Molecular Liquids, 328, 115397. doi:10.1016/j.molliq.2021.115397.
  • Ibrahim, M., Saeed, T., Hekmatifar, M., Sabetvand, R., Chu, Y.-M., & Toghraie, D. (2021). Investigation of dynamical behavior of 3LPT protein – water molecules interactions in atomic structures using molecular dynamics simulation. Journal of Molecular Liquids, 329, 115615. doi:10.1016/j.molliq.2021.115615.
  • Zheng, Y., Zhang, X., Soleimani Mobareke, M. T., Hekmatifar, M., Karimipour, A., & Sabetvand, R. (2020). Potential energy and atomic stability of H2O/CuO nanoparticles flow and heat transfer in non-ideal microchannel via molecular dynamic approach: the Green–Kubo method. Journal of Thermal Analysis and Calorimetry. doi:10.1007/s10973-020-10054-w.
  • Sabetvand, R., Toghraie, D., & Hekmatifar, M. (2021). The molecular dynamics study of boron-nitride nanosheet roughness after atomic bombardment process. Journal of Molecular Liquids, 331, 115733. doi:10.1016/j.molliq.2021.115733.
  • Karimipour, A., Amini, A., Nouri, M., Sabetvand, R. Molecular dynamics performance for coronavirus simulation by C, N, O, and S atoms implementation dreiding force field: drug delivery atomic interaction in contact with metallic Fe, Al, and steel. Comp. Part. Mech. 8, 737–749 (2021). https://doi.org/10.1007/s40571-020-00367-w.
  • Ghanbari A, Warchomicka F, Sommitsch C, Zamanian A. Investigation of the Oxidation Mechanism of Dopamine Functionalization in an AZ31 Magnesium Alloy for Biomedical Applications. Coatings. 2019; 9(9):584. https://doi.org/10.3390/coatings9090584.
  • Eftekhari, S. A., Toghraie, D., Hekmatifar, M., & Sabetvand, R. (2021). Mechanical and thermal stability of armchair and zig-zag carbon sheets using classical MD simulation with Tersoff potential. Physica E: Low-Dimensional Systems and Nanostructures, 133, 114789. doi:10.1016/j.physe.2021.114789.
  • Shen, X.-Y., Hekmatifar, M., Yunus Abdul Shukor, M., Alizadeh, A., Sun, Y.-L., Toghraie, D., & Sabetvand, R. (2021). Molecular dynamics simulation of water-based Ferro-nanofluid flow in the microchannel and nanochannel: Effects of number of layers and material of walls. Journal of Molecular Liquids, 338, 116924. doi:10.1016/j.molliq.2021.116924.
  • Li, Y.-X., Hekmatifar, M., Sun, Y.-L., Alizadeh, A., Aly, A. A., Toghraie, D. Sabetvand, R. (2021). Evaluation the vibrational behavior of carbon nanotubes in different sizes and chiralities and argon flows at supersonic velocity using molecular dynamics simulation. Journal of Molecular Liquids, 339, 116796. doi:10.1016/j.molliq.2021.116796.
  • zhang, Y., Pirmoradian, M., Toghraie, D., & Sabetvand, R. (2021). Molecular dynamics study of the mechanical properties of reinforced silicon structure with iron nanoparticles. Computational Materials Science, 199, 110749. doi:10.1016/j.commatsci.2021.110749.
  • Amirhosein Mosavi, Maboud Hekmatifar, Davood Toghraie, Roozbeh Sabetvand, As’ad Alizadeh, Zahra Sadeghi, Aliakbar Karimipour, 2021, Atomic interactions between rock substrate and water-sand mixture with and without graphene nanosheets via molecular dynamics simulation, Journal of Molecular Liquids,323, 114610, doi:10.1016/j.molliq.2020.114610.
  • Malekahmadi, O., Zarei, A., Botlani Esfahani, M.B., Sabetvand, R. Thermal and hydrodynamic properties of coronavirus at various temperature and pressure via molecular dynamics approach. J Therm Anal Calorim 143, 2841–2850 (2021). https://doi.org/10.1007/s10973-020-10353-2.
  • Hongwei Cui, S. Saleem, Jafar Eskandari Jam, Mohsen Heydari Beni, Maboud Hekmatifar, Davood Toghraie, Roozbeh Sabetvand, 2021, Effects of roughness and radius of nanoparticles on the condensation of nanofluid structures with molecular dynamics simulation: Statistical approach, Journal of the Taiwan Institute of Chemical Engineers, 1876-1070, doi:10.1016/j.jtice.2021.09.005.
  • R. Sabetvand, H. Jami, 2021, The Study of Boron-Nitride Nanotube Behavior as an Atomic Nano-Pump for Biomedicine Applications, doi:10.21203/rs.3.rs-163210/v1.
  • Weijing Bu, Roozbeh Sabetvand, Maboud Hekmatifar, S.M. Alizadeh, Ahmadreza Arefpour, Davood Toghraie, Chia-Hung Su, Hoang Chinh Nguyen, Afrasyab Khan, 2021, The computational study of moisture effect on mechanical behavior of baghdadite matrix via molecular dynamics approach, Journal of Materials Research and Technology, 15, 2828-2836, doi:10.1016/j.jmrt.2021.09.108.
  • Zhao, L., Nasution, M.K.M., Hekmatifar, M., Sabetvand, R. The improvement of mechanical properties of conventional concretes using carbon nanoparticles using molecular dynamics simulation. Sci Rep 11, 20265 (2021). https://doi.org/10.1038/s41598-021-99616-y.

Conference Presentations

  • R. Sabetvand, S. Bagheri, 2018, Molecular Dynamics Simulation of Nitrogen Flow in Platinum Nanochannel for Medical Applications, 9th International Conferences on Nanotechnology – ICN2018.
  • R. Sabetvand, F. Azizpour S. Bagheri, 2018, Study of Nanochannel Genus Effects on the Argon Flow using Molecular Dynamics Simulation, International Conference on Modern Finding in Sciences and Technology with a Focus on Science in the Service of Development.
  • R. Sabetvand, ME. Ghazi, M. Eizadifard, 2017, Theoretical Study on the Effect of Vacancy Defect on Electronic Structure of CsSnI3 via Density Functional Theory, 13th Conference on Condensed Matter.
  • R. Sabetvand, ME. Ghazi, M. Eizadifard, 2017, Theoretical Study on the Effect of Vacancy Defect on Electronic Structure of CH3NH3SnI3 via Density Functional Theory, 24th Symposium of Crystallography and Mineralogy of Iran.
  • R. Sabetvand, D. Kamani, S. Mazinani, 2014, 4th Iranian Computational Physics Conference.
  • R. Sabetvand, S. Mazinani, D. Kamani, S. Aghajari, 2014, Electronic Investigation of the Graphene/Polyethylene Nano-composite by Density Function Theory, The First National Conference On Nanotechnology: Advantages And Applications.
  • R. Sabetvand, S. Mazinani, D. Kamani, 2013, Study of Heat Flux and Thermal Conductivity in Polyethylene Chain with Molecular Dynamic Simulation, Sixth Statistical Physics Conference.

LAMMPS Tube experts are ready to fulfill every Computational molecular dynamics-based projects under the supervision of Dr. Roozbeh Sabetvand. Our service includes both industrial and academic purposes considering a wide range of molecular dynamics problems. LAMMPS tube company has gathered experts from various science/engineering fields to ensure the quality of molecular dynamics services. Your molecular dynamics project would be done in the shortest time, with the highest quality and appropriate cost from this link.