Quantum Chemistry · Topological Barriers · Quantum Computing · Optimization

Dr. Baswanth Oruganti

I work at the intersection of Topology, Lie Theory, and Quantum Computing, developing topological frameworks for understanding fundamental constraints in electronic structure theory and optimization algorithms.

Chemical constraints on quantum systems produce topological structures that govern which transitions are accessible and which are forbidden. The P6V30 programme develops a unified framework for detecting, characterising, and crossing these structural barriers.
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About

I am a theoretical chemist with research interests spanning Quantum Chemistry, Quantum Computing Algorithms, and Mathematical Optimization. My work focuses on the geometric and topological structures underlying symmetry-breaking transitions in molecular systems and nonlinear optimization landscapes — areas where Differential Geometry, Lie Group Theory, and Electronic Structure Theory converge. An example of a Topological Barrier is a Clifford Torus shown below, which forms an obstruction between Aromatic and Antiaromatic TSs under the spin-symmetry constraint.

Clifford Torus is an Example of a Fibre Bundle under the Hopf Fibration Map between S³ and S²

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Singular Set Σ
The Clifford Torus T² ⊂ S³ — Topological Barrier in Forbidden Electrocyclic Reactions The Clifford torus is the equatorial singular set separating the two connected components of the frontier orbital Bloch sphere. It represents the HOMO-LUMO degeneracy locus — the Coulson-Fischer point — at which the coveted generator becomes accessible and symmetry breaking occurs. Woodward-Hoffmann forbidden reactions correspond to paths that must cross this topological barrier.

P6V30 Research Programme

Constraint-Induced Topological Barriers in Electronic Structure and Optimization

A six-pillar research programme (2025–2030) developing a unified geometric framework in which physically motivated constraints produce fibre bundle structures, and topological barriers govern transitions between symmetry-inequivalent states in quantum chemistry, optimization, and machine learning.

Pillar 1
UEIT-TOPCT
Topological obstruction framework for symmetry-forbidden quantum transitions and its implications for Quantum Phase Estimation.
2025–2026 In Review
Pillar 2
UPGCC
Unitary Pair Geometric Coupled Cluster algorithm with SU(4) Orbital Rotations for Quantum Hardware simulation of strongly correlated systems.
2026–2027 In Progress
Pillar 3
DLTR
Parameter-free Directional Lagrange Trust-Region Optimization Algorithm derived from the Inverse Function Theorem without heuristic controls.
2027–2028 Theory Complete
P6V30 Research Programme Logo
P6V30 Six Pillars · 2025–2030
Pillar 4
DLTR-Transit
Automated Basin Traversal via Singular Geometry: detecting and crossing Topological Barriers in Nonlinear Optimization landscapes.
2028 Planned
Pillar 5
CIFB-TB I
Constraint-Induced Fibre Bundles and Topological Barriers: unified geometric framework for Electronic Structure Theory.
2029 Planned
Pillar 6
CIFB-TB II
Constraint-Induced Fibre Bundles and Topological Barriers: applications in Mathematical Optimization and Machine Learning.
2030 Planned

Research Areas

Topological Methods in Quantum Chemistry

Symmetry-Induced Topological Barriers, Lie Algebra Frameworks, and Symmetry-Breaking Transitions in Molecular Electronic Structure.

Quantum Computing Algorithms

Wavefunction Ansatz Design for NISQ Hardware, Quantum Phase Estimation, and Circuit-Based Electronic Structure Simulation.

Mathematical Optimization

Geometry-Driven Trust-Region Methods, Singular Set Detection, and Basin Traversal Algorithms grounded in Inverse Function Theory.

Ayurveda Prakriti and Inflammaging

Prakriti-Based Phenotypic Stratification as a Marker for Inflammaging Susceptibility, quantified via Genomic Inflammatory Indices.

→ Take the Ayurvedic Prakriti Questionnaire

Experience & Education

Academic Positions

  • Associate Professor — Chanakya University 2024–2025
  • Assistant Professor — SRM University-AP 2022–2024
  • Assistant Professor — GITAM University 2017–2019

Education

  • MSc Mathematics — Umeå University ongoing
  • Postdoctoral Research — Linnaeus University 2019–2021
  • PhD — Linköping University 2012–2016
  • MSc Chemistry — IIT Guwahati 2008–2010
  • BSc — Acharya Nagarjuna University 2004–2007

Publications

Full publication list and citation metrics available on Google Scholar.

Google Scholar Profile

Contact

🆔ORCID ◎Google Scholar ⌥GitHub 𝕏@BaswanthQuantum