Related papers: QDB: a new database of plasma chemistries and reac…
Complex wounds usually face partial or total loss of skin thickness, healing by secondary intention. They can be acute or chronic, figuring infections, ischemia and tissue necrosis, and association with systemic diseases. Research…
Artificial intelligence is revolutionizing computational chemistry, bringing unprecedented innovation and efficiency to the field. To further advance research and expedite progress, we introduce the Quantum Open Organic Molecular (QO2Mol)…
The analysis and modelling of a range of plasmas (for example: astrophysical, laser-produced and fusion), require atomic data for a number of parameters, such as energy levels, radiative rates and electron impact excitation rates, or…
With the rising applications implemented in different domains, it is inevitable to require databases to adopt corresponding appropriate data models to store and exchange data derived from various sources. To handle these data models in a…
Beta-delayed neutron emission is important for nuclear structure and astrophysics as well as for reactor applications. Significant advances in nuclear experimental techniques in the past two decades have led to a wealth of new measurements…
An introduction to the Quantum Chemistry Package (QCP), implemented in the computer algebra system Maple, is presented. The QCP combines sophisticated electronic structure methods and Maple's easy-to-use graphical interface to enable…
Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced,…
Mechanistic understanding of organic reactions can facilitate reaction development, impurity prediction, and in principle, reaction discovery. While several machine learning models have sought to address the task of predicting reaction…
Recent developments in computational chemistry facilitate the automated quantum chemical exploration of chemical reaction networks for the in-silico prediction of synthesis pathways, yield, and selectivity. However, the underlying quantum…
With the rapid development of quantum technology, one of the leading applications is the simulation of chemistry. Interestingly, even before full scale quantum computers are available, quantum computer science has exhibited a remarkable…
While current large language models (LLMs) demonstrate remarkable linguistic capabilities through training on massive unstructured text corpora, they remain inadequate in leveraging structured scientific data (e.g., chemical molecular…
This paper introduces a new platform to accelerate the modeling of complex aerothermochemical interactions in new turbomachines, turbo-reactors, to decarbonise chemical processes. While previous work has aerothermally demonstrated the…
The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as…
A new model to study the dynamics of relativistic quantum plasmas using the quantum electrodynamical (QED) approach has been constructed to analyze the quantum effects, relativistic corrections, and electromagnetic interactions. Considering…
The standard theory of nuclear fusion rates in a strongly interacting plasma can be (correctly) derived only when the energy release, Q, is large compared to other energies in the problem. We exhibit a result for rates that provides a basis…
Quantum computing offers a new paradigm for advancing high-energy physics research by enabling novel methods for representing and reasoning about fundamental quantum mechanical phenomena. Realizing these ideals will require the development…
In this study, a novel quantum-inspired Bayesian probability (QIBP) algorithm, informed by quantum dynamics, is proposed to improve the predictions of nuclear mass from theoretical models. Within the QIBP framework, residuals between the…
There have been emerging a number of benchmarks and techniques for the detection of deepfakes. However, very few works study the detection of incrementally appearing deepfakes in the real-world scenarios. To simulate the wild scenes, this…
Sources of uncertainty are reviewed for calculated atomic and molecular data that are important for plasma modeling: atomic and molecular structure and cross sections for electron-atom, electron-molecule, and heavy particle collisions. We…
We propose to develop a high-energy heavy-ion experimental database and make it accessible to the scientific community through an on-line interace. This database will be searchable and cross-indexed with relevant publications, including…