Hi, Am currently doing a project that involves designing a robotic arm which picks and places medical surgical instruments. I am trying to design it so that the gripper can be as universally ...
I noticed that after every geometry optimization the enthalpy, entropy and free energy is always positive. is this a bug? for example:https://www.materialssquare.com/work/29076 acetone has a positive...
Hello could i calphad setting such as (CoCrMnNi)1-x (Fe) x ? i interested in Fe addition effect in equiatiomic CoCrMnNi alloy.i am curious about effect o...
Hi, Will the International Workshop on Computer-Aided Discovery be available afterward? I am very interested to watch it, but the schedule is unfortunate concerning my time zone. ...
Hello dear Greetings of the day. I am from research institute in India doing PhD in theoretical condnesed matter phsyics. For that I need a high performance computing server because limited ...
Hi, I would like to get the multi-component phase diagram of AlZn5.5Mg1.5 , but I get the error "Could not find a single start equilibria. Please change the initial conditions and try again." each tim...
Is there any recommended literatures to cite when I publish results from MATSQ CALPHAD?
Hi, Is there any easy way to fix certain selected atoms for DFT and MD simulations in MATSQ? If not, is there any plan to do it? For example, selecting atoms and type "f", and then atoms to be f...
Please guide me to create the structure of C2N with the necessary data and coordinates.