PL
Philip Loche
physics.chem-phcond-mat.softMolecular Dynamics Simulationbubble nucleationcavitationcs.LGfree energy barrierlipid bilayersmolecular dynamics simulationsphysics.comp-ph
On Valency
published · living versionsW_39jyz6pm·v1 · currentpublished
Unconstrained learning of equivariant atomistic properties
with Joseph W. Abbott, Paolo Pegolo, Pol Febrer, Michelangelo Domina +4
1 version
Preprints & journals
31 papers in the corpus · 2018–2026Quantitative modeling of acid-base equilibria2610.13265v1 · Qianjun Xu, Simin Liu, Cesare Malosso et al.2026 · 0 citationsarXiv
Simultaneous learning of static and dynamic charges.42312373 · Stärk, Philipp, Stooß, Henrik, Langer, Marcel F et al.2026 · 1 citationPhysical chemistry chemical physics : PCCP. 2026;28(26):16249-16258
Static Dielectric Permittivity Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores2512.07548v2 · Philipp Stark, Henrik Stooß, Philip Loche et al.2025 · 7 citationsSt\"ark, P.; Stoo{\ss}, H.; Loche, P.; Bonthuis, D. J.; Netz, R. R.; Schlaich, A.; Chem. Phys. Rev. 2026, 7 (1), 011319
PET-MAD as a lightweight universal interatomic potential for advanced materials modeling.41309557 · Mazitov, Arslan, Bigi, Filippo, Kellner, Matthias et al.2026 · 59 citationsNature communications. 2025;16(1):10653
Metatensor and metatomic: foundational libraries for interoperable atomistic machine learning2508.15704v3 · Filippo Bigi, Joseph W. Abbott, Philip Loche et al.2025 · 10 citationsarXiv
Learning Long-Range Representations with Equivariant Messages2507.19382v2 · Egor Rumiantsev, Marcel F. Langer, Tulga-Erdene Sodjargal et al.2025 · 0 citationsarXiv
Dielectric Properties of Aqueous Electrolytes at the Nanoscale.40315517 · Becker, Maximilian R, Netz, Roland R, Loche, Philip et al.2025 · 20 citationsPhysical review letters. 2025;134(15):158001
Fast and flexible long-range models for atomistic machine learning.40197567 · Loche, Philip, Huguenin-Dumittan, Kevin K, Honarmand, Melika et al.2025 · 25 citationsThe Journal of chemical physics. 2025;162(14)
Prediction rigidities for data-driven chemistry.39319702 · Chong, Sanggyu, Bigi, Filippo, Grasselli, Federico et al.2025 · 11 citationsFaraday discussions. 2025;256(0):322-344
Water cavitation results from the kinetic competition of bulk, surface and surface-defect nucleation events2410.17626v2 · Philip Loche, Matej Kanduc, Emanuel Schneck et al.2024 · 7 citationsPhysics of Fluids 37, 024122 (2025)
Force field for halide and alkali ions in water based on single-ion and ion-pair thermodynamic properties for a wide range of concentrations.39158049 · Duenas-Herrera, Maria, Bonthuis, Douwe Jan, Loche, Philip et al.2024 · 9 citationsThe Journal of chemical physics. 2024;161(7)
Multiscale Modeling of Aqueous Electric Double Layers.38118062 · Becker, Maximilian, Loche, Philip, Rezaei, Majid et al.2024 · 107 citationsChemical reviews. 2024;124(1):1-26
Revealing the Formation Dynamics of Janus Polymer Particles: Insights from Experiments and Molecular Dynamics.38033045 · Nedyalkova, Miroslava, Russo, Giovanni, Loche, Philip et al.2023 · 7 citationsJournal of chemical information and modeling. 2023;63(23):7453-7463
Physics-Inspired Equivariant Descriptors of Nonbonded Interactions.37862712 · Huguenin-Dumittan, Kevin K, Loche, Philip, Haoran, Ni et al.2023 · 36 citationsThe journal of physical chemistry letters. 2023;14(43):9612-9618
Physics-inspired Equivariant Descriptors of Non-bonded Interactions2308.13208v2 · Kevin K. Huguenin-Dumittan, Philip Loche, Ni Haoran et al.2023 · 0 citationsarXiv
Electrokinetic, electrochemical, and electrostatic surface potentials of the pristine water liquid-vapor interface.36586978 · Becker, Maximilian R, Loche, Philip, Netz, Roland R2023 · 33 citationsThe Journal of chemical physics. 2022;157(24):240902
Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces.36075721 · Loche, Philip, Scalfi, Laura, Ali Amu, Mustakim et al.2022 · 16 citationsThe Journal of chemical physics. 2022;157(9):094707
Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution.36698011 · Loche, Philip, Bonthuis, Douwe J, Netz, Roland R2024 · 38 citationsCommunications chemistry. 2022;5(1):55
Transferable Ion Force Fields in Water from a Simultaneous Optimization of Ion Solvation and Ion-Ion Interaction.34292738 · Loche, Philip, Steinbrunner, Patrick, Friedowitz, Sean et al.2021 · 76 citationsThe journal of physical chemistry. B. 2021;125(30):8581-8587
Water at charged interfaces.37118441 · Gonella, Grazia, Backus, Ellen H G, Nagata, Yuki et al.2023 · 562 citationsNature reviews. Chemistry. 2021;5(7):466-485
Interfacial, Electroviscous, and Nonlinear Dielectric Effects on Electrokinetics at Highly Charged Surfaces.33939436 · Rezaei, Majid, Mitterwallner, Bernhard G, Loche, Philip et al.2021 · 37 citationsThe journal of physical chemistry. B. 2021;125(18):4767-4778
Consistent description of ion-specificity in bulk and at interfaces by solvent implicit simulations and mean-field theory.32716168 · Dos Santos, Alexandre P, Uematsu, Yuki, Rathert, Alexander et al.2020 · 17 citationsThe Journal of chemical physics. 2020;153(3):034103
Exploring the Absorption Spectrum of Simulated Water from MHz to Infrared.32525677 · Carlson, Shane, Brünig, Florian N, Loche, Philip et al.2020 · 61 citationsThe journal of physical chemistry. A. 2020;124(27):5599-5605
Surface-orientation- and ligand-dependent quenching of the spin magnetic moment of Co porphyrins adsorbed on Cu substrates.32458937 · Arruda, Lucas M, Ali, Md Ehesan, Bernien, Matthias et al.2020 · 17 citationsPhysical chemistry chemical physics : PCCP. 2020;22(22):12688-12696
Universal and Nonuniversal Aspects of Electrostatics in Aqueous Nanoconfinement.32364728 · Loche, Philip, Ayaz, Cihan, Wolde-Kidan, Amanuel et al.2020 · 88 citationsThe journal of physical chemistry. B. 2020;124(21):4365-4371
Cavitation in lipid bilayers poses strict negative pressure stability limit in biological liquids.32358185 · Kanduč, Matej, Schneck, Emanuel, Loche, Philip et al.2020 · 27 citationsProceedings of the National Academy of Sciences of the United States of America. 2020;117(20):10733-10739
Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation.32494631 · Elgabarty, Hossam, Kampfrath, Tobias, Bonthuis, Douwe Jan et al.2020 · 95 citationsScience advances. 2020;6(17):eaay7074
Giant Axial Dielectric Response in Water-Filled Nanotubes and Effective Electrostatic Ion-Ion Interactions from a Tensorial Dielectric Model.31765168 · Loche, Philip, Ayaz, Cihan, Schlaich, Alexander et al.2020 · 53 citationsThe journal of physical chemistry. B. 2019;123(50):10850-10857
Comment on "Hydrophobic Surface Enhances Electrostatic Interaction in Water".31491251 · Loche, Philip, Wolde-Kidan, Amanuel, Schlaich, Alexander et al.2019 · 27 citationsPhysical review letters. 2019;123(4):049601
Influence of polar co-solutes and salt on the hydration of lipid membranes.31343009 · Wolde-Kidan, Amanuel, Pham, Quoc Dat, Schlaich, Alexander et al.2019 · 20 citationsPhysical chemistry chemical physics : PCCP. 2019;21(31):16989-17000
Breakdown of Linear Dielectric Theory for the Interaction between Hydrated Ions and Graphene.30382706 · Loche, Philip, Ayaz, Cihan, Schlaich, Alexander et al.2018 · 51 citationsThe journal of physical chemistry letters. 2018;9(22):6463-6468
Career total: 42 works. 31 are in this corpus.
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