Results 41 to 50 of about 28,142 (308)
Journal of the Dow University of Health SciencesPharmaceutical chemistry has always depended on a balance between testing things out in the real world and building models based on theory. As pharmacological molecules get more complex, the difference between what can be measured practically and what ...
Zubair Anwar
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Refining resource estimation for the quantum computation of vibrational molecular spectra through Trotter error analysis [PDF]
QuantumAccurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with quantum computers is less investigated.
Dimitar Trenev +6 more
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Orbital optimized unitary coupled cluster theory for quantum computer
Physical Review Research, 2020 We propose an orbital optimized method for unitary coupled cluster theory (OO-UCC) within the variational quantum eigensolver (VQE) framework for quantum computers. OO-UCC variationally determines the coupled cluster amplitudes and also molecular orbital
Wataru Mizukami +5 more
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Pediatric Blood &Cancer, EarlyView.ABSTRACT Background Osteosarcoma (OS) and Ewing sarcoma (EWS) are the most common primary bone cancers in children, but acute thrombosis is poorly characterized in this population. Our study evaluated the rates of venous thromboembolism (VTE) and associated risk factors in pediatric patients with bone sarcomas treated over a 10‐year period encompassing
Sarah Kappa +8 more
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Markov State Models for Rare Events in Molecular Dynamics
Entropy, 2013 Rare, but important, transition events between long-lived states are a key feature of many molecular systems. In many cases, the computation of rare event statistics by direct molecular dynamics (MD) simulations is infeasible, even on the most powerful ...
Marco Sarich +3 more
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Pediatric Blood &Cancer, EarlyView.ABSTRACT Background Children with acute lymphoblastic leukemia (ALL) are at risk of severe outcomes from SARS‐CoV‐2 (SCV2). In the post‐pandemic context, where most children have been infected with SCV2, there are limited data on whether vaccination remains beneficial in children with ALL.
Janna R. Shapiro +11 more
wiley +1 more source
Applications of Gaussian Boson Sampling to Solve Some Chemistry Problems
Quantum ReportsQuantum computers, due to their superposition and entanglement properties, provide significant advantages in solving certain problems compared with classical computers.
Samaneh Bagheri Novir
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Optimization of VQE-UCC Algorithm Based on Spin State Symmetry
Frontiers in Physics, 2021 The accurate calculation of molecular energy spectra, a very complicated work, is of importance in many applied fields. Relying on the VQE-UCC algorithm, it is very possible to calculate the molecular energy spectrum on a noisy intermediate scale quantum
Qing Guo +3 more
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Pediatric Blood &Cancer, EarlyView.ABSTRACT Background An internal tandem duplication in the gene encoding Fms‐like tyrosine kinase 3 (FLT3‐ITD) is associated with high relapse risk and poor prognosis in acute myeloid leukemia (AML) and plays a crucial role in treatment decisions. Measurable residual disease (MRD) analysis of FLT3‐ITD during and after treatment has shown prognostic ...
Sofie Johansson Alm +11 more
wiley +1 more source
Molecular Computers Built from DNA Components
, 2020 Thesis (Ed.D.)--University of Washington, 2020At the nanoscale, the ability to control spatio-temporal interactions would give us unparalleled power.
Rao, Sundipta Dharanipragada
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