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Rajat Kumar Vishwakarma
Rajat Kumar Vishwakarma
Student at University of Allahabad
Quantum Machine Learning Engineer
India

Public Documents 2
Protein folding using quantum computers
Rajat Kumar Vishwakarma

Rajat Kumar Vishwakarma

October 04, 2022
Protein folding has been one of the most difficult problems for over a half-century,The random thermal motions causing conformational changes that lead energetically downhill towards the native structure, a principle captured in funnel-shaped energy landscapes.Unfolded polypeptides have a wide range of possible conformations. The search problem becomes intractable for classical computers due to the exponential growth of potential conformations with chain length. So far, there is theoretical and experimental evidence that solving such optimization problems using Quantum Computing approaches such as Quantum Annealing, VQE, and QAOA has an advantage. Although Google's DeepMind-AlphaFold has accomplished much,But we can go even further with the quantum approach.Here we show how to predict structure of protein as well as RNA folding using the Variational Quantum Eigensolver with Conditional Value at Risk (CVaR) expectation values for the solution of the problem and for finding the minimum configuration energy and our task is to identify a protein's minimal energy structure. The protein's structure is optimized to reduce energy. Also making sure that all physical constraints are met and encoding the protein folding problem into a qubit operator.
Quantum Simulation and Dynamics
Rajat Kumar Vishwakarma

Rajat Kumar Vishwakarma

May 31, 2022
Today Quantum Computers have a wide range of applications, one of the prominent is quantum simulation. Simulations are used for many industrial and research purposes. Here we understand how can we simulate three atoms heisenberg model interaction on three qubits using real NISQ(Noisy Intermediate-Scale Quantum Computing) device 'ibmq_jakarta' first we perform simulation by classical method after that we will go on quantum approach,for 3 qubit simulation its represented by 8×8 matrix. This is because there are 2³ = 8 states in the N =3(N represents number of qubits used) system, if the simulation were 50 particles(N=50) then it would be approx 10¹⁵×10¹⁵! Well beyond the capacity of today's classical computers, but for quantum computers this task will require only 15 qubits.

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