Deep Learning for Molecular Thermodynamics

نویسندگان

چکیده

The methods used in chemical engineering are strongly reliant on having a solid grasp of the thermodynamic features complex systems. It is difficult to define behavior ions and molecules systems make reliable predictions about across wide range. Deep learning (DL), which can provide explanations for intricate interactions that beyond scope traditional mathematical functions, would appear be an effective solution this problem. In brief Perspective, we overview DL review several its possible applications within realm engineering. approaches anticipate molecular characteristics broad range based data already available also described, with numerous cases serving as illustrations.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Deep Unsupervised Learning using Nonequilibrium Thermodynamics

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical ph...

متن کامل

Deep learning-based CAD systems for mammography: A review article

Breast cancer is one of the most common types of cancer in women. Screening mammography is a low‑dose X‑ray examination of breasts, which is conducted to detect breast cancer at early stages when the cancerous tumor is too small to be felt as a lump. Screening mammography is conducted for women with no symptoms of breast cancer, for early detection of cancer when the cancer is most treatable an...

متن کامل

A Hybrid Optimization Algorithm for Learning Deep Models

Deep learning is one of the subsets of machine learning that is widely used in Artificial Intelligence (AI) field such as natural language processing and machine vision. The learning algorithms require optimization in multiple aspects. Generally, model-based inferences need to solve an optimized problem. In deep learning, the most important problem that can be solved by optimization is neural n...

متن کامل

A Hybrid Optimization Algorithm for Learning Deep Models

Deep learning is one of the subsets of machine learning that is widely used in Artificial Intelligence (AI) field such as natural language processing and machine vision. The learning algorithms require optimization in multiple aspects. Generally, model-based inferences need to solve an optimized problem. In deep learning, the most important problem that can be solved by optimization is neural n...

متن کامل

Molecular thermodynamics for charged biomacromolecules

Significant progress has been made over the past 25–30 years toward understanding the molecular basis of stability and biological functions of proteins and nucleic acids. Electrostatic calculations hold a prominent place among most advanced and popular computational methods to describe the influence of solution conditions on and the precise role played by individual amino acids or atoms in stab...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Energies

سال: 2022

ISSN: ['1996-1073']

DOI: https://doi.org/10.3390/en15249344