國立虎尾科技大學 |

Theoretical methods, algorithms, and applications of quantum systems in chemistry, physics, and biology = selected proceedings of QSCP-XXVI Conference (Jaipur, India, October 2023) /

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Theoretical methods, algorithms, and applications of quantum systems in chemistry, physics, and biology/ edited by Sourav Pal ... [et al.].
Reminder of title:	selected proceedings of QSCP-XXVI Conference (Jaipur, India, October 2023) /
remainder title:	QSCP-XXVI Conference
other author:	Pal, Sourav.
Published:	Cham :Springer Nature Switzerland : : 2025.,
Description:	xii, 341 p. :ill. (some col.), digital ; : 24 cm.;
Contained By:	Springer Nature eBook
Subject:	Quantum systems - Congresses. -
Online resource:	https://doi.org/10.1007/978-3-031-85167-4
ISBN:	9783031851674

Theoretical methods, algorithms, and applications of quantum systems in chemistry, physics, and biology = selected proceedings of QSCP-XXVI Conference (Jaipur, India, October 2023) /
Theoretical methods, algorithms, and applications of quantum systems in chemistry, physics, and biologyselected proceedings of QSCP-XXVI Conference (Jaipur, India, October 2023) /[electronic resource] :QSCP-XXVI Conferenceedited by Sourav Pal ... [et al.]. - Cham :Springer Nature Switzerland :2025. - xii, 341 p. :ill. (some col.), digital ;24 cm. - Progress in theoretical chemistry and physics,v. 352215-0129 ;. - Progress in theoretical chemistry and physics ;v.26..

Part I. General Theory and Methodology -- Open Systems and the Laws of Thermodynamics -- Numerical Tensor Methods with Explicitly Correlated Wave Functions for Bound-State Stability of Coulomb Three-Body Systems -- P,T-Odd Sensitivity Parameters in Open-Shell Molecules from Relativistic Coupled-Cluster Theory -- Hypotheses on Many-Body Quantum Effects in Photosynthesis -- Revisiting Noble-Gas Adsorption on Graphene Using Continuum and Atomistic Descriptions -- From Quantum Connectivity to Biological Networks: A Portrait of Protein Structure seen through the Lens of Side Chain Network -- Part II. Computational Quantum Chemistry -- Insight into the Structural, Electronic, and Magnetic Properties of Mn, Fe, and Co-doped bilayerborophene -- Deciphering the Mechanisms and Reactivity of Metalloenzymes and Biomimetic Models Using Computational Methods -- Dispersion effects on the computed geometries and properties of hydroxybenzenes dimmers -- Towards ML- and QML-Accelerated Discovery of Catalytic Materials and Mechanisms: A Progress Review -- Part III. Reaction Mechanisms -- Exploring the Competition between Energy Transfer and Reaction Rate in Post-TS Dynamics of Catechol's Ozonolysis -- Radical Pair Mechanism in Biological Systems -- Part IV. Biological Applications -- The Changing Face of Drug and Materials Discovery -- Understanding the Melanin Spectra and Photophysics -- Computational analysis of mutation effect on SARS-CoV-2 spike protein structures.

This volume contains peer-reviewed contributions based on talks presented at the 26th International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Jaipur, India, in October 2023. It provides an in-depth discussion of methodological approaches that are relevant across various length scales, elucidating their applications in diverse chemical and biological systems, such as catalysis and materials. Authored by experts in their respective fields, each chapter showcases recent developments and offers insights into the latest research trends. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, and biology, and their applications.

ISBN: 9783031851674

Standard No.: 10.1007/978-3-031-85167-4doiSubjects--Topical Terms:

1210553
Quantum systems
--Congresses.

LC Class. No.: QC173.96

Dewey Class. No.: 530.12

Theoretical methods, algorithms, and applications of quantum systems in chemistry, physics, and biology = selected proceedings of QSCP-XXVI Conference (Jaipur, India, October 2023) /
LDR:03539nam a2200349 a 4500 001 1166261
003 DE-He213
005 20250821130317.0
006 m d
007 cr nn 008maaau
008 251217s2025 sz s 0 eng d
020 $a 9783031851674 $q (electronic bk.)
020 $a 9783031851667 $q (paper)
024 7 $a 10.1007/978-3-031-85167-4 $2 doi
035 $a 978-3-031-85167-4
040 $a GP $c GP
041 0 $a eng
050 4 $a QC173.96
072 7 $a PNRP $2 bicssc
072 7 $a SCI013050 $2 bisacsh
072 7 $a PNRP $2 thema
082 0 4 $a 530.12 $2 23
090 $a QC173.96 $b .T396 2025
245 0 0 $a Theoretical methods, algorithms, and applications of quantum systems in chemistry, physics, and biology $h [electronic resource] : $b selected proceedings of QSCP-XXVI Conference (Jaipur, India, October 2023) / $c edited by Sourav Pal ... [et al.].
246 3 $a QSCP-XXVI Conference
260 $a Cham : $c 2025. $b Springer Nature Switzerland : $b Imprint: Springer,
300 $a xii, 341 p. : $b ill. (some col.), digital ; $c 24 cm.
490 1 $a Progress in theoretical chemistry and physics, $x 2215-0129 ; $v v. 35
505 0 $a Part I. General Theory and Methodology -- Open Systems and the Laws of Thermodynamics -- Numerical Tensor Methods with Explicitly Correlated Wave Functions for Bound-State Stability of Coulomb Three-Body Systems -- P,T-Odd Sensitivity Parameters in Open-Shell Molecules from Relativistic Coupled-Cluster Theory -- Hypotheses on Many-Body Quantum Effects in Photosynthesis -- Revisiting Noble-Gas Adsorption on Graphene Using Continuum and Atomistic Descriptions -- From Quantum Connectivity to Biological Networks: A Portrait of Protein Structure seen through the Lens of Side Chain Network -- Part II. Computational Quantum Chemistry -- Insight into the Structural, Electronic, and Magnetic Properties of Mn, Fe, and Co-doped bilayerborophene -- Deciphering the Mechanisms and Reactivity of Metalloenzymes and Biomimetic Models Using Computational Methods -- Dispersion effects on the computed geometries and properties of hydroxybenzenes dimmers -- Towards ML- and QML-Accelerated Discovery of Catalytic Materials and Mechanisms: A Progress Review -- Part III. Reaction Mechanisms -- Exploring the Competition between Energy Transfer and Reaction Rate in Post-TS Dynamics of Catechol's Ozonolysis -- Radical Pair Mechanism in Biological Systems -- Part IV. Biological Applications -- The Changing Face of Drug and Materials Discovery -- Understanding the Melanin Spectra and Photophysics -- Computational analysis of mutation effect on SARS-CoV-2 spike protein structures.
520 $a This volume contains peer-reviewed contributions based on talks presented at the 26th International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Jaipur, India, in October 2023. It provides an in-depth discussion of methodological approaches that are relevant across various length scales, elucidating their applications in diverse chemical and biological systems, such as catalysis and materials. Authored by experts in their respective fields, each chapter showcases recent developments and offers insights into the latest research trends. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, and biology, and their applications.
650 0 $a Quantum systems $v Congresses. $3 1210553
650 0 $a Quantum chemistry $v Textbooks. $3 632715 $3 728051
650 1 4 $a Theoretical Chemistry. $3 1387715
650 2 4 $a Computational Chemistry. $3 1390200
650 2 4 $a Quantum Chemistry. $3 1391145
650 2 4 $a Atomic, Molecular and Chemical Physics. $3 1366878
700 1 $a Pal, Sourav. $3 1495057
710 2 $a SpringerLink (Online service) $3 593884
711 2 $a Workshop on the Preservation of Stability under Discretization $d (2001 : $c Fort Collins, Colo.) $3 527686
773 0 $t Springer Nature eBook
830 0 $a Progress in theoretical chemistry and physics ; $v v.26. $3 882457
856 4 0 $u https://doi.org/10.1007/978-3-031-85167-4
950 $a Chemistry and Materials Science (SpringerNature-11644)