Sandip Laha

Computational physicist with 4+ years of doctoral research applying first-principles quantum-mechanical simulations (DFT/VASP) and classical molecular dynamics (LAMMPS) to complex multi-component alloy systems. Proficient in numerical methods, HPC workflows, scientific data analysis, and machine learning–assisted property prediction. Author of 3 first-author publications (1 published, 2 in progress) in peer-reviewed journals; experienced communicator of advanced computational results at national conferences.

Eager to leverage deep expertise in electronic structure, phase stability, and defect physics to support AI model training, scientific benchmarking, and reasoning evaluation.

Doctoral Researcher - Indian Institute of Technology Bhubaneswar - Bhubaneswar, India

(2021-01)

Thesis: Structural and Mechanical Properties of High-Entropy Alloys

• Conducted large-scale first-principles simulations using Kohn–Sham DFT (VASP) on multicomponent high-entropy alloys (HEAs) with up to hundreds of atoms; managed compute-intensive workflows on HPC clusters.
• Computed electronic band structures, density of states (DOS), Bader charge distributions, and spin polarisation to characterise magnetic and structural behaviour at the quantum level.
• Calculated stacking fault energies (SFE), defect formation energies, and thermodynamic phase stability using ab initio and CALPHAD-integrated methods (Thermo-Calc), resolving structure–property relationships.
• Applied machine learning algorithms (TensorFlow, PyTorch) for accelerated materials property prediction; developed ML-assisted workflows for high-throughput screening of alloy compositions.
• Performed classical molecular dynamics (LAMMPS) simulations for atomistic modelling complementary to DFT calculations.
• Visualised and analysed large simulation datasets using VESTA, OVITO, VASPKIT, XCrySDen, matplotlib, and gnuplot; synthesised findings into peer-reviewed publications and conference presentations.

Master's Researcher (M.Tech.) - Indian Institute of Engineering Science and Technology Shibpur - Shibpur, India

(2018-01 - 2020-12)

Thesis: Synthesis and Property Enhancement of SDC-Based Oxide Ionic Conductors

• Synthesised samarium-doped ceria (SDC) electrolyte materials via two-stage solid-state sintering; performed structural and phase analysis with XRD and FTIR spectroscopy.
• Quantified ionic conductivity using electrochemical impedance spectroscopy (EIS); analysed complex impedance spectra and extracted transport parameters using equivalent-circuit modelling.
• Characterised microstructures with SEM; correlated processing conditions with measurable property outcomes.

Teaching Assistant - Indian Institute of Technology Bhubaneswar - Bhubaneswar, India

(2021-01)

• Introduction to Simulation and Modelling in Materials (Undergraduate): Delivered tutorials and problem-solving sessions; communicated complex computational concepts clearly to diverse student audiences. Assisted with grading, examinations, and laboratory supervision.
• Thermodynamics of Materials Laboratory (Undergraduate): Demonstrated Thermo-Calc for phase diagram construction and thermodynamic analysis.

Doctor of Philosophy (Ph.D.) - Materials Science - Indian Institute of Technology Bhubaneswar (2021-01)

Master of Technology (M.Tech.) - Materials Engineering - Indian Institute of Engineering Science and Technology Shibpur (2018-01 - 2020-12)

Bachelor of Technology (B.Tech.) - Mechanical Engineering - Academy of Technology (MAKAUT) (2013-01 - 2017-12)