Results 41 to 50 of about 3,565,684 (300)
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 As part of the European Cooperative Study Group for Paediatric Rare Tumours initiative, we developed standard clinical practice guidelines for ovarian sex cord stromal tumors, based on comprehensive national and international cohort analyses, literature review, and a final expert consensus conference.
Dominik T. Schneider +15 more
wiley +1 more source
Central Nervous System Tumors Among Infants in Canada: A Report From CYP‐C
Pediatric Blood &Cancer, EarlyView.ABSTRACT Background Central nervous system (CNS) tumors in infants are rare, pose unique clinical challenges, and lack large‐scale evidence‐based data to guide management. This study seeks to describe CNS tumors in Canadian infants and to compare their outcomes with those of older children.
Samuel Sassine +17 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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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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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 Pediatric intramedullary low‐grade gliomas (PIMLGGs) are rare neoplasms that present unique clinical and management challenges. Although surgery remains the primary tool for tissue diagnosis and decompression, complete gross‐total resection is frequently unfeasible due to the infiltrative nature of these lesions.
Olga M. Sergeenko +5 more
wiley +1 more source
MOLECULAR SIMULATIONS WITH HIGH-PERFORMANCE COMPUTERS
TASK Quarterly, 1997 In this article, we present the work carried out in our group on various fields of theoretical biochemistry. Our main fields of research are as follows: i) design of an algorithm fordc novo prediction of protein structure from amino-acid sequence using ...
PIOTR ARŁUKOWICZ +11 more
doaj
Pediatric Blood &Cancer, EarlyView.ABSTRACT Background Adult survivors of childhood acute lymphoblastic leukemia (ALL) are at risk of reduced exercise capacity, decreased physical activity levels, persistent fatigue, and neurocognitive deficits. The aim was to investigate exercise capacity and physical activity levels of adult survivors of childhood ALL and their associations with ...
Laura Jess +5 more
wiley +1 more source