54 citations · 54 across the 6 of their papers we have counts for
6 papers
Information Entropy Based Crystal Structure Prediction of Chemically Disordered Alloys via Graph Convolutional Neural Networks
Suman Chabri, Gautam Anand
The phase prediction of chemically disordered alloys poses a significant computational challenge due to the combinatorial complexity of such materials. The high-throughput composit…
Edge Dislocation Mediated Anomalous Charge Transfer in Face Centered Cubic High Entropy Alloys
Gautam Anand, Swarnava Ghosh, Suman Chabri +1
Charge transfer in concentrated alloys governs their structural stability and functional response, and can be strongly perturbed by lattice defects. In high-entropy alloys, the int…
GAASP: Genetic Algorithm Based Atomistic Sampling Protocol for High-Entropy Materials
G. Anand
High-Entropy Materials are composed of multiple elements on comparatively simpler lattices. Due to the multicomponent nature of such materials, the atomic scale sampling is computa…
Order Parameter Engineering for Random Systems
G. Anand, Swarnava Ghosh, Markus Eisenbach
The chemical short-range order (CSRO) in the crystalline materials influences the properties and its effect is particularly important in the context of the multicomponent materials…
Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models
Liwei Zhang, Berk Onat, Geneviève Dusson +5
We propose a scheme to construct predictive models for Hamiltonian matrices in atomic orbital representation from ab initio data as a function of atomic and bond environments. The…
Electron spin mediated distortion in metallic systems
G. Anand, Markus Eisenbach, Russell Goodall +1
The deviation of positions of atoms from their ideal lattice sites in crystalline solid state systems causes distortion and can lead to variation in structural [1] and functional p…