Results 201 to 210 of about 456,980 (284)

Lecture Notes in Quantum Mechanics [PDF]

, 2006
Doron Cohen
openalex   +1 more source

Scalable Thermal Engineering via Femtosecond Laser‐Direct‐Written Phononic Nanostructures

Advanced Functional Materials, EarlyView.
This study demonstrates that femtosecond laser‐induced periodic surface structures (fs‐LIPSS) can function as phononic metasurfaces, reducing thermal conductivity below the plain thin‐film limit. Phonon Monte Carlo analysis reveals that the periodic structures restrict phonon mean free paths.
Hiroki Hamma, Roman Anufriev, Kazuyoshi Fushinobu, Masahiro Nomura, Byunggi Kim   +4 more
wiley   +1 more source

Unlocking the chemistry facilitated by enzymes that process nucleic acids using quantum mechanical and combined quantum mechanics-molecular mechanics techniques. [PDF]

Pure Appl Chem
Nikkel DJ, Wetmore SD.
europepmc   +1 more source

Multiscale Methods in Quantum Mechanics : Theory and Experiment

, 2013
Philippe Blanchard, Gianfausto Dell’Antonio   +1 more
openalex   +2 more sources

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

Advanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm. [PDF]

J Chem Theory Comput
Schlinsog M, Sattasathuchana T, Xu P, Guidez EB, Gilson MK, Potter MJ, Gordon MS, Webb SP.   +7 more
europepmc   +1 more source

High Entropy Wide‐Bandgap Borates with Broadband Luminescence and Large Nonlinear Optical properties

Advanced Functional Materials, EarlyView.
High‐entropy rare‐earth borates exhibit excellent nonlinear optical and broadband luminescence properties arising from multi‐component doping, chemical disorder, increased configurational entropy, and increased lattice and electronic anharmonicity. This formulation enabled us to obtain a large, environmentally stable single crystal with 3X higher laser‐
Saugata Sarker, Yu Wang, Yongwen Sun, Caeli Benyacko, Saeed S.I. Almishal, Tao Zhou, Zhiyu Zhang, Jadupati Nag, Himirkanti Sarkar, Jeffrey Shallenberger, Hemant Yennawar, Yang Yang, Jon‐Paul Maria, Zhiqiang Mao, Venkatraman Gopalan   +14 more
wiley   +1 more source

Prediction of enzyme inhibition (IC₅₀) using a combination of protein-ligand docking and semiempirical quantum mechanics. [PDF]

J Mol Model
Glen RC, Cole JC, Stewart JJP.
europepmc   +1 more source

A SEMICLASSICAL FRAMEWORK FOR ENERGY: BRIDGING QUANTUM MECHANICS AND RELATIVITY THROUGH LOW-ORDER GRAVITATIONAL CORRECTIONS

Machi García, Abdul Sahib
openalex   +1 more source

Interactive Tutorials For Upper Level Quantum Mechanics Courses [PDF]

, 2009
Yvette M Beck
openalex