Where physics meets data
AIMS is built on computational condensed matter physics: density functional theory (DFT) calculations of real materials, checked against X-ray absorption, infrared, photoemission and other experiments. Machine learning sits on top of that foundation. It makes the physics faster and reaches problems that physics alone cannot.
DFT and first principles
Electronic structure, band gap engineering and defect formation energies with VASP and Quantum ESPRESSO.
Spectroscopy simulation
XAS, XPS and IR spectra that fingerprint local structure and validate experimental data.
Applied AI and ML
Materials discovery, phase identification and image analysis for medical and agricultural problems.
0research themes in two tracks
0forecast issuances benchmarked in one study
0models compared head to head
0half-hour steps forecast (24 h ahead) per prediction
Collaborators: NANOTEC (NSTDA), Thai Synchrotron National Lab, Tohoku University, KAIST, UC Berkeley, Case Western Reserve University and the Institute for Basic Science. We are looking for partners in experimental physics, chemistry, materials engineering and medical research.