Thank you for this video professor. The problem I feel about such programming is that it is difficult to make the program understand science rather than just learning patterns from a large data.
@@8848nepalyt yup. Some machine learning models are black boxes with limited interpretability. Others are more interpretable. Random forests, for example, provide feature weights that can help intuite mechanistic understanding
I have a notebook already prepared for the new API. Here's the link. Does it have what you are looking for? If you have additional questions, let me know and I can update it with additional content. github.com/sp8rks/MaterialsInformatics/blob/main/worked_examples/MP_API_example/new_MPRester_tutorial.ipynb
And this video has a bunch of instructions on cleaning, featurizing, splitting data and building classic models. Feel free to use the bookmarks at the bottom to jump right to the timestamp of interest ruclips.net/video/5fMr4mYuCXI/видео.htmlsi=PDp3NgWM3kEYTZqX
@@kwamivikolor5276 Formation energy per atom focuses on the energy change per atom in a compound, commonly used in computational materials science. Enthalpy of formation is a broader thermodynamic measure of the heat change when forming one mole of a compound from its elements. Both indicate stability, but formation energy per atom is more specific to atomic-level stability, while enthalpy of formation applies to bulk thermodynamic processes.
@@TaylorSparks Thank you Sensei. Therefore in terms of sign(+/-) of the formation energy per atom what kind of intuition can we develop? I mean when the formation energy per atom is negative or positive or null?
Thank you for this video professor. The problem I feel about such programming is that it is difficult to make the program understand science rather than just learning patterns from a large data.
@@8848nepalyt yup. Some machine learning models are black boxes with limited interpretability. Others are more interpretable. Random forests, for example, provide feature weights that can help intuite mechanistic understanding
Can you please make a tutorial for new updated material project API and building various machine learning models?
I have a notebook already prepared for the new API. Here's the link. Does it have what you are looking for? If you have additional questions, let me know and I can update it with additional content. github.com/sp8rks/MaterialsInformatics/blob/main/worked_examples/MP_API_example/new_MPRester_tutorial.ipynb
And this video has a bunch of instructions on cleaning, featurizing, splitting data and building classic models. Feel free to use the bookmarks at the bottom to jump right to the timestamp of interest ruclips.net/video/5fMr4mYuCXI/видео.htmlsi=PDp3NgWM3kEYTZqX
@@TaylorSparks Thank you professor for your help
What I need right now.
Please Sensei, is formation energy per atom here related to enthalpy of formation? What is the significance actually?
@@kwamivikolor5276 Formation energy per atom focuses on the energy change per atom in a compound, commonly used in computational materials science. Enthalpy of formation is a broader thermodynamic measure of the heat change when forming one mole of a compound from its elements. Both indicate stability, but formation energy per atom is more specific to atomic-level stability, while enthalpy of formation applies to bulk thermodynamic processes.
@@TaylorSparks Thank you Sensei. Therefore in terms of sign(+/-) of the formation energy per atom what kind of intuition can we develop? I mean when the formation energy per atom is negative or positive or null?