Key papers in Atomic and Molecular Physics, and Optics
Pofolia’s corpus holds 61 papers from the Atomic and Molecular Physics, and Optics subfield (2012–2026). The list below starts with the most cited.
Most cited
Ranked by citation count. Because citations accumulate over time, this list naturally leans towards work published a few years ago; for where the field is now, see “recently added”.
Squeeze-and-Excitation Networks
IEEE Transactions on Pattern Analysis and Machine Intelligence · 2019 · Q1 · SJR 4.00 · FWCI 981.84 · 12,562 citations
This paper introduces the "Squeeze-and-Excitation" (SE) block, a novel architectural unit for Convolutional Neural Networks (CNNs) that adaptively recalibrates channel-wise feature responses by modeling interdependencies between channels.
Double-slit photoelectron interference in strong-field ionization of the neon dimer
GSI Repository (GSI Helmholtzzentrum für Schwerionenforschung) · 2019 · FWCI 834.60 · 8,267 citations · Open access
Researchers observed two-center interference in photoelectron momentum distributions from neon dimers ionized by a strong laser field, demonstrating wave-particle duality in a molecular system.
Double-slit photoelectron interference in strong-field ionization of the neon dimer
Nature Communications · 2018 · Q1 · SJR 4.00 · FWCI 497.73 · 8,260 citations · Open access
Researchers observed two-center interference in photoelectron momentum distributions from ionized neon dimers, demonstrating wave-particle duality in a molecular system.
Software update: the ORCA program system, version 4.0
Wiley Interdisciplinary Reviews Computational Molecular Science · 2017 · Q1 · SJR 4.00 · FWCI 181.72 · 5,800 citations
The ORCA electronic structure package has been updated to version 4.0, introducing new capabilities since its initial publication in 2012.
Cavity optomechanics
Reviews of Modern Physics · 2014 · Q1 · SJR 13.00 · FWCI 217.57 · 5,706 citations · Open access
This review surveys the field of cavity optomechanics, which studies the interplay between light and mechanical motion at the nanoscale.
Weyl and Dirac semimetals in three-dimensional solids
Reviews of Modern Physics · 2018 · Q1 · SJR 13.00 · FWCI 266.51 · 4,574 citations
Recent discoveries have identified 3D crystals exhibiting low-energy electronic properties described by Dirac or Weyl equations, leading to unusual physical phenomena and potential new applications.
<i>MMPBSA.py</i>: An Efficient Program for End-State Free Energy Calculations
Journal of Chemical Theory and Computation · 2012 · Q1 · SJR 1.00 · FWCI 40.59 · 4,537 citations
MMPBSA.py is a new Python program that streamlines end-state free energy calculations for molecules in solution, offering multiple solvation models and parallel processing for speed.
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
Journal of Chemical Theory and Computation · 2019 · Q1 · SJR 1.00 · FWCI 143.75 · 4,319 citations · Open access
A new quantum chemical method, GFN2-xTB, is introduced for fast calculations of molecular systems up to ~1000 atoms, incorporating novel anisotropic density fluctuation effects and a self-consistent dispersion model.
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
The Journal of Chemical Physics · 2020 · Q1 · FWCI 163.03 · 4,204 citations · Open access
CP2K is an open-source software package designed for atomistic simulations across various systems, excelling in massively parallel and linear-scaling electronic structure methods.
Signatures of Majorana Fermions in Hybrid Superconductor-Semiconductor Nanowire Devices
Science · 2012 · Q1 · SJR 10.00 · FWCI 176.33 · 4,201 citations
Researchers observed bound, midgap states at zero bias voltage in hybrid superconductor-semiconductor nanowires, providing evidence for Majorana fermions.
Spin-Torque Switching with the Giant Spin Hall Effect of Tantalum
Science · 2012 · Q1 · SJR 10.00 · FWCI 90.31 · 4,083 citations
Researchers report a giant spin Hall effect in beta-tantalum, enabling efficient spin-torque switching of ferromagnets at room temperature, a breakthrough for spintronic devices.
Quantum cryptography: Public key distribution and coin tossing
Theoretical Computer Science · 2014 · Q2 · FWCI 50.54 · 3,956 citations
Quantum channels, leveraging the uncertainty principle, enable secure public key distribution by detecting eavesdropping attempts that disturb transmissions. This allows two users to share random key information without prior secrets, even over insecure classical channels.
Quantum sensing
Reviews of Modern Physics · 2017 · Q1 · SJR 13.00 · FWCI 106.70 · 3,933 citations
Quantum sensors, utilizing single or few qubits and entanglement, offer unprecedented precision in metrology beyond classical devices.
Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator
Science · 2013 · Q1 · SJR 10.00 · FWCI 116.40 · 3,905 citations
Researchers have experimentally observed the quantum anomalous Hall (QAH) effect in chromium-doped (Bi,Sb)2Te3 thin films, a magnetic topological insulator.
Modern Quantum Mechanics
Cambridge University Press eBooks · 2020 · FWCI 226.66 · 3,729 citations
This third edition of the graduate-level textbook "Modern Quantum Mechanics" has been revised to incorporate twenty-first-century topics and modern mathematical techniques for advanced calculations.
The design and verification of MuMax3
AIP Advances · 2014 · Q3 · FWCI 68.65 · 3,701 citations · Open access
MuMax3 is a new open-source, GPU-accelerated software for simulating magnetization evolution in magnetic materials, designed for speed and low resource usage.
Strongly Constrained and Appropriately Normed Semilocal Density Functional
Physical Review Letters · 2015 · Q1 · SJR 2.00 · FWCI 59.78 · 3,650 citations
Researchers introduce the first meta-generalized-gradient approximation (meta-GGA) for density functional theory that fully satisfies all 17 known exact constraints and is also accurate for specific challenging systems.
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald
Journal of Chemical Theory and Computation · 2013 · Q1 · SJR 1.00 · FWCI 69.43 · 3,578 citations
A new implementation allows explicit solvent molecular dynamics simulations to run entirely on GPUs using the AMBER package, achieving statistically indistinguishable results from CPU versions but with significantly higher performance.
LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT
Journal of Computational Chemistry · 2016 · Q1 · SJR 1.00 · FWCI 56.65 · 3,550 citations · Open access
LOBSTER is a new software tool that analyzes chemical bonding from plane-wave based density-functional theory (DFT) calculations, offering enhanced functionality over previous methods.
Maximally localized Wannier functions: Theory and applications
Reviews of Modern Physics · 2012 · Q1 · SJR 13.00 · FWCI 49.18 · 3,292 citations
This review details methods for transforming extended Bloch orbitals into unique, maximally localized Wannier functions, analogous to chemical Boys orbitals, enabling a more intuitive understanding of electronic structure.
Recently added
Journal of Materials Chemistry A
Journal of Materials Chemistry A · 2026 · Q1 · SJR 1.00 · 519 citations
A new, fast, all-solution method fabricates extensive, self-assembled ZnO nanorod networks on interdigitated electrodes for device applications.
Tehnicki vjesnik - Technical Gazette
Tehnicki vjesnik - Technical Gazette · 2026 · Q3 · 382 citations
This paper investigates how psychophysical effects like expansion and simultaneous contrast alter color perception in visual stimuli, using White's illusions as a basis.
Introductory Quantum Mechanics
2025 · FWCI 26.82 · 619 citations
This synopsis presents fundamental concepts of quantum mechanics relevant to magnetic resonance spectroscopy, including the Schrodinger equation and the Heisenberg uncertainty principle.
gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS
Journal of Chemical Theory and Computation · 2021 · Q1 · SJR 1.00 · FWCI 171.99 · 3,119 citations
gmx_MMPBSA is a new tool that enables end-state free energy calculations from GROMACS molecular dynamics trajectories, offering multiple solvation models and advanced features like alanine scanning with variable dielectric constant.
Journal of Physics: Condensed Matter
Journal of Physics Condensed Matter · 2020 · Q2 · 2,951 citations
Two-dimensional boron nitride (BN) films exhibit room-temperature ferroelectricity due to interlayer sliding, explained by the distortion of nitrogen pz orbitals caused by van der Waals interactions.
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