… advisor, Prof. William A. Goddard III, for enabling me to explore the field of quantum chemistry. I have learned many things from the projects that Bill proposed, the suggestions that he made, the questions that he asked, and the resiliency that he displays. I would also like to…

…conductivity [41] to modulate the plasmon response. At the time of this thesis, quantum- and graphene-plasmonics were at the forefront of the field, making us reflect how far the field has come in only ∼30 years, and wonder where it will be in the next 10. 1.2 Scope of this Thesi…

Quantum Mechanics Studies of Fuel Cell Catalysts and Proton Conducting Ceramics with Validation by Experiment - CaltechTHESIS CaltechTHESIS A Caltech Library Service About Browse Deposit an Item Instructions for Students Quantum Mechanics Studies of Fuel Cell Catalysts and Proton…

… layers between the graphene electrodes. This strategy enables control over the quantum capacitance and interfacial properties, improving the performance of wearable energy storage devices for practical applications. In addition to graphene-based architectures, alternative ink sy…

…E. Tosatti, ‘ Vibrational spectra of atomic H and D on Cu(110) — evidence for H quantum delocaliza- tion,’ Phys. Rev. Lett. 68, 90(1991). C.G. Van de Walle, P.J.H. Denteneer, Y. Bar-Yam, and §.T. Pantelides, ‘Theory of hydrogen diffusion and reactions in crystalline silicon,’ Phy…

… were set to Dreiding default values, which were then adjusted to reproduce the quantum mechanically derived structure and frequencies of a gas-phase CsHSO4 monomer. Cesium vdW parameters were modified to duplicate the quantum mechanical bonding energy, average CsO distance and …

…mol masud; md wahiduzzaman suva; m. f. mridha; nilanjan dey lorentz-equivariant quantum graph neural network for high-energy physics IEEE Transactions on Artificial Intelligence, 2025 [Ref No.: 7629] sm nuruzzaman nobel; s m masfequier rahman swapno; md mohsin kabir; m. f. mridha…

Frontiers | Quantum image denoising: a framework via Boltzmann machines, QUBO, and quantum annealing ORIGINAL RESEARCH article Front. Comput. Sci. , 19 October 2023 Sec. Theoretical Computer Science Volume 5 - 2023 | Quantum image denoising: a framework via Boltzmann machines, QU…

…nctions. Answering these questions has a variety of applications, especially to quantum computing, learning theory, and computational complexity theory. Designing protocols for proving the correctness of computations (possibly in zero-knowlege), in which the prover and verifier a…

C.G. Almudever et al., The engineering challenges in quantum computing, in Design, Automation & Test in Europe Conference & Exhibition (DATE), 2017 . (IEEE, Lausanne, Switzerland, 2017), pp. 836–845. https://doi.org/10.23919/DATE.2017.7927104 M.S. Anis et al., Qiskit: An open-sou…

… field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations. J. Comput. Chem. 24, 1999–2012. 10.1002/jcc.10349 DOI ] [ PubMed ] [ Google Scholar Dundas J., Ouyang Z., Tseng J., Binkowski A., Turpaz Y., Liang J. (2006). CASTp, co…

i P. W. Shor, Algorithms for quantum computation: discrete logarithms and factoring, Proceedings 35th Annual Symposium on Foundations of Computer Science IEEE Comput. Soc. Press: 124 (1994). ii R. Santagati, A. Aspuru-Guzik, R. Babbush, M. Degroote, L. Gonzalez, E. Kyoseva, N. Mo…

…exciting direction, and we stepped further in ICALP 2018 AHP 2021 and POPL 2024 Quantum computing and programming languages Mathieu Huot and I found a neat universal property for quantum theory ( LICS 2019 QPL 2018 ) based on my theory of quantum programs POPL 2015 ). Earlier, I'…

…tion and emission processes, and molecular chirality. Publications 1. Molecular Quantum Electrodynamics Books Molecular Quantum Electrodynamics: Long-Range Intermolecular Interactions, Akbar Salam, John Wiley & Sons, Inc., NJ, 2010. Non-Relativistic QED Theory of the van der Waal…

…024. [Online]. Available: A. Baul, H. M. Terletska , K. M. Tam, and J. Moreno, “Quantum classical algorithm for the study of phase transitions in the Hubbard model via dynamical mean-field theory,” Quantum Rep. , vol. 7, no. 2, Art. no. 18, May 2024. [Online]. Available: doi.org/…