Publications (69)
One-step treatment of spin-orbit coupling and electron correlation in large active spaces
Bastien Mussard, Sandeep Sharma
Use of multigrids to reduce the cost of performing interpolative separable density fitting
Kori E. Smyser, Alec White, Sandeep Sharma
Testing the robustness of topological quantities evaluated from the modular Hamiltonian for a given wavefunction
Sandeep Sharma, Ajit C. Balram
A deep learning approach to predict the number of k-barriers for intrusion detection over a circular region using wireless sensor networks
Abhilash Singh, J. Amutha, Jaiprakash Nagar +1
Modeling the impact of rain on population exposed to air pollution
Sandeep Sharma, Nitu Kumari
Excited states in auxiliary field quantum Monte Carlo
Ankit Mahajan, Sandeep Sharma, Shiwei Zhang +1
Fast exchange with Gaussian basis set using robust pseudospectral method
Sandeep Sharma, Alec F. White, Gregory Beylkin
Size Extensive Auxiliary-Field Quantum Monte Carlo with Perturbative Coupled Cluster Trial Wavefunction
Yichi Zhang, Ankit Mahajan, Yann Damour +1
Future of COVID-19 in Italy: A mathematical perspective
Sumit Kumar, Sandeep Sharma, Nitu Kumari
Stochastic perturbation theory to correct non-linearly parametrized wavefunctions
Sandeep Sharma
Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function
Leopoldo MejÃa, Sandeep Sharma, Roi Baer +2
PT Symmetry, induced mechanical lasing and tunable force sensing in a coupled-mode optically levitated nanoparticle
Sandeep Sharma, A. Kani, M. Bhattacharya
Taming the sign problem in auxiliary field quantum Monte Carlo using accurate trial wave functions
Ankit Mahajan, Sandeep Sharma
Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction
Alan D. Chien, Adam A. Holmes, Matthew Otten +3
Subluminal light pulse propagation in a Î-type atom-molecule coupled system
Sandeep Sharma, Bimalendu Deb, Tarak N. Dey
The intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model
Qiaoni Chen, George H. Booth, Sandeep Sharma +2
Edge Detection Based Shape Identification
Vivek Kumar, Sumit Pandey, Amrindra Pal +1
A spin-adapted Density Matrix Renormalization Group algorithm for quantum chemistry
Sandeep Sharma, Garnet Kin-Lic Chan
Accurate many-body electronic structure near the basis set limit: application to the chromium dimer
Junhao Li, Yuan Yao, Adam A. Holmes +4
Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer
Sandeep Sharma, Takeshi Yanai, George H. Booth +2
The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
Qiming Sun, Matthew R Hermes, Xiaojie Wu +100
Coherent control of levitated nanoparticles via dipole-dipole interaction
Sandeep Sharma, Seongi Hong, Andrey S. Moskalenko
Efficient multireference perturbation theory without high-order reduced density matrices
Nick S. Blunt, Ankit Mahajan, Sandeep Sharma
Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics
Sandeep Sharma, Kantharuban Sivalingam, Frank Neese +1
Efficient local energy evaluation for multi-Slater wave functions in orbital space quantum Monte Carlo
Ankit Mahajan, Sandeep Sharma
Fokker-Planck equation governing the distribution of walkers in AFQMC
Alfred Li, Ankit Mahajan, Sandeep Sharma
Efficient diffraction control using a tunable active-Raman gain medium
Sandeep Sharma
Recent developments in the PySCF program package
Qiming Sun, Xing Zhang, Samragni Banerjee +46
Toward linear scaling auxiliary field quantum Monte Carlo with local natural orbitals
Jo S. Kurian, Hong-Zhou Ye, Ankit Mahajan +2
Cheap and near exact CASSCF with large active spaces
James E. T. Smith, Adam A. Holmes, Bastien Mussard +1
The Ground State Electronic Energy of Benzene
Janus J. Eriksen, Tyler A. Anderson, J. Emiliano Deustua +21
A fast algorithm for computing the Boys function
Gregory Beylkin, Sandeep Sharma
Relativistic semistochastic heat-bath configuration interaction
Xubo Wang, Sandeep Sharma
Fast Semistochastic Heat-Bath Configuration Interaction
Junhao Li, Matt Otten, Adam A Holmes +2
Can phaseless auxiliary-field quantum Monte Carlo with broken symmetry trials describe iron-sulfur clusters?
Eirik F. Kjønstad, Huanchen Zhai, James Shee +2
Faster and lower scaling orbital-space Variational Monte Carlo
Iliya Sabzevari, Sandeep Sharma
Lossy Data Compression Using Logarithm
Vivek Kumar, Srijita Barthwal, Rishabh Kishore +3
Controlled light shaping via phase dependent electromagnetically induced transparency
Sandeep Sharma, Tarak N. Dey
Combining internally contracted states and matrix product states to perform multireference perturbation theory
Sandeep Sharma, Gerald Knizia, Sheng Guo +1
Multireference linearized Coupled Cluster theory for strongly correlated systems using Matrix Product States
Sandeep Sharma, Ali Alavi
Nature-Inspired Algorithms for Wireless Sensor Networks: A Comprehensive Survey
Abhilash Singh, Sandeep Sharma, Jitenda Singh
Systematic improvement of trial states in phaseless auxiliary-field quantum Monte Carlo
Eirik F. Kjønstad, Yann Damour, Sandeep Sharma +1
Fast and spectrally accurate construction of adaptive diagonal basis sets for electronic structure
Michael Lindsey, Sandeep Sharma
Semistochastic Heat-bath Configuration Interaction method: selected configuration interaction with semistochastic perturbation theory
Sandeep Sharma, Adam Holmes, Guillaume Jeanmairet +2
Phase induced transparency mediated structured beam generation in a closed-loop tripod configuration
Sandeep Sharma, Tarak N. Dey
Cryptompress: A Symmetric Cryptography algorithm to deny Bruteforce Attack
Vivek Kumar, Sandeep Sharma
Near exact excited states of the carbon dimer in a quadruple-zeta basis using a general non-Abelian density matrix renormalization group algorithm
Sandeep Sharma
Highly accurate ab-initio thermochemistry via real-space quantum Monte Carlo: Benzene
Iliya Sabzevari, Sandeep Sharma
Strain-induced tuning of optical properties of layered Mo$S_2$
Shubham Bhagat, Shivani Sharma, Jasvir Singh +1
Electro-optic sampling of the electric-field operator for ultrabroadband pulses of Gaussian quantum light
Geehyun Yang, Sandeep Sharma, Andrey S. Moskalenko
Efficient evaluation of two-center Gaussian integrals in periodic systems
Sandeep Sharma, Gregory Beylkin
Excited states using semistochastic heat-bath configuration interaction
Adam A. Holmes, C. J. Umrigar, Sandeep Sharma
Nuclear gradients from auxiliary-field quantum Monte Carlo and their application in geometry optimization and transition state search
Jo S. Kurian, Ankit Mahajan, Sandeep Sharma
Symmetry projected Jastrow mean field wavefunction in variational Monte Carlo
Ankit Mahajan, Sandeep Sharma
Near-Exact Nuclear Gradients of Complete Active Space Self-Consistent Field Wave Functions
James E. T. Smith, Joonho Lee, Sandeep Sharma
Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte Carlo
Ankit Mahajan, Joonho Lee, Sandeep Sharma
Stochastic multi-reference perturbation theory with application to linearized coupled cluster method
Guillaume Jeanmairet, Sandeep Sharma, Ali Alavi
A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states
Sandeep Sharma, Garnet Kin-Lic Chan
Kerr field induced tunable optical atomic waveguide
Sandeep Sharma, Tarak N. Dey
The Python-based Simulations of Chemistry Framework (PySCF)
Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt +9
Response properties in phaseless auxiliary field quantum Monte Carlo
Ankit Mahajan, Jo S. Kurian, Joonho Lee +2
Quantum Locally Recoverable Codes via Good Polynomials
Sandeep Sharma, Vinayak Ramkumar, Itzhak Tamo
Multireference configuration interaction and perturbation theory without reduced density matrices
Ankit Mahajan, Nick S. Blunt, Iliya Sabzevari +1
Externally corrected CCSD with renormalized perturbative triples (R-ecCCSD(T)) and density matrix renormalization group and selected configuration interaction external sources
Seunghoon Lee, Huanchen Zhai, Sandeep Sharma +2
Beyond CCSD(T) accuracy at lower scaling with auxiliary field quantum Monte Carlo
Ankit Mahajan, James H. Thorpe, Jo S. Kurian +3
New superexchange paths due to breathing-enhanced hopping in corner-sharing cuprates
Nikolay A. Bogdanov, Giovanni Li Manni, Sandeep Sharma +2
An accelerated linear method for optimizing non-linear wavefunctions in variational Monte Carlo
Iliya Sabzevari, Ankit Mahajan, Sandeep Sharma
Chemistry Beyond the Scale of Exact Diagonalization on a Quantum-Centric Supercomputer
Javier Robledo-Moreno, Mario Motta, Holger Haas +14
Direct comparison of many-body methods for realistic electronic Hamiltonians
Kiel T. Williams, Yuan Yao, Jia Li +22