Regulation of electronic structure of graphene nanoribbon by tuning long-range dopant–dopant coupling at distance of tens of nanometers Permalink
Published in The Journal of Physical Chemistry Letters, 2020
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Posts by Collection
cv
experience
publications
A generalized class of strongly stable and dimension-free T-RPMD integrators Permalink
Published in The Journal of chemical physics, 154, 024106, 2020
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Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states Permalink
Published in The Journal of Chemical Physics, 154, 064108, 2021
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Molecular energy learning using alternative blackbox matrix-matrix multiplication algorithm for exact Gaussian process Permalink
Published in NeurIPS 2021 AI for Science Workshop, 2021
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High-field transport and hot electron noise in GaAs from first principles: role of two-phonon scattering Permalink
Published in Physical Review B, 106, 245201, 2022
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New stable and fast ring-polymer molecular dynamics for calculating bimolecular rate coefficients with example of OH+CH4 Permalink
Published in Journal of Chemical Theory and Computation, 18, 9, 5203–5212, 2022
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TensorCircuit: a quantum software framework for the NISQ era Permalink
Published in Quantum 7, 912, 2022
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Fast near ab initio potential energy surfaces using machine learning Permalink
Published in The Journal of Physical Chemistry A, 126(25), 4013-4024, 2022
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Accurate molecular-orbital-based machine learning energies via unsupervised clustering of chemical space Permalink
Published in Journal of Chemical Theory and Computation, 18, 8, 4826–4835, 2022
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Molecular dipole moment learning via rotationally equivariant Gaussian process regression with derivatives in molecular-orbital-based machine learning Permalink
Published in The Journal of Chemical Physics, 157, 104109, 2022
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Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression. Permalink
Published in The Journal of Chemical Physics, 157, 154105, 2022
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Transport and noise of hot electrons in GaAs using a semi-analytical model of two-phonon polar optical phonon scattering Permalink
Published in Physical Review B, 107, 205201, 2023
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Towards chemical accuracy with shallow quantum circuits: A Clifford-based Hamiltonian engineering approach Permalink
Published in arXiv preprint arXiv:2306.12053, 2023
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research
teaching
Teaching experience 1
Undergraduate course, University 1, Department, 2014
This is a description of a teaching experience. You can use markdown like any other post.
Teaching experience 2
Workshop, University 1, Department, 2015
This is a description of a teaching experience. You can use markdown like any other post.