I want to generate potential file for MoS2 structure for energy storage purpose ( Supercapacitors ). How to use DFT and Machine learning for generating potential file of LAMMPS?
Hello everyone, I am trying to calculate shear-stress vs shear strain in Graphene. I made two group of atoms upper and lower, out of which for upper, I setforce 0, 0, 0 and for lower gave constant...
04 May 2019 3,308 8 View
Hello everyone, I want to make lammps with CUDA package. But I have confusion, which is the best speed booster package in lammps whether it is mpirun, kokkos_omp or kokkos_cuda. If anyone have...
01 February 2019 9,338 1 View
I want to simulate the austenite to martensite phase transition of Iron - Carbon system using molecular dynamics. I am positioning carbon atoms using create_atoms single command. Is there any...
31 December 2018 1,615 4 View
I want to minimize energy for MoS2, but when I try it with NPT ensemble, all the atoms changes its position.
09 October 2018 3,789 0 View
Lammps a software
31 December 2017 8,309 7 View
“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
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
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
I need the python code to forecast what crop production will be in the next decade considering climate and crop production variables as seen in the attached.csv file.
05 August 2024 2,977 3 View
Brain and body mass together are positively correlated with lifespan (Hofman 1993). The duration of neural development is one of the best predictors of brain size, and conception is the best...
05 August 2024 6,247 3 View
Hello everyone, I am currently working on a research project that aims to integrate machine learning techniques into an open source SIEM tool to automate the creation of security use cases from...
04 August 2024 3,196 2 View
When the entire neocortex is ablated in rodents, although they are still able to swim, all the limbs move continuously and asynchronously (Vanderwolf 2006; Vanderwolf et al. 1978). Normal animals...
03 August 2024 835 3 View
Machine learning (ML) has shown great potential in predicting the compressive strength of concrete, an important property for structural engineering. However, its practical application comes with...
03 August 2024 2,546 2 View
I have seen plenty of existing works on applied Reinforcement Learning (RL) policies for optimized scheduling in IoT networks including Q-learning, DQNs, and the newer ones including PPO for...
01 August 2024 8,754 2 View
Samuel Morse, the inventor of the Morse Code, understood that certain letters in the English language occurred more frequently than others (Gallistel and King 2010). To deal with this, Morse used...
01 August 2024 4,456 2 View