Prof. Dr. Silvana Botti


Fon: +49 234 32 28773
E-Mail: silvana.botti@rub.de

Universitätsstr. 150
44801 Bochum

Silvana Botti holds the professorship for the computational design of functional interfaces in Bochum; in this role, she’s also a member of the Faculty of Physics and Astronomy. She took up the same post at her previous station, the Friedrich Schiller University in Jena. Silvana Botti, who has Italian and Portuguese citizenship, studied physics in Pavia. She’s been working in close collaboration with experimental groups on groundbreaking topics in condensed matter physics and optics for some time, in addition to having a considerable track record in developing theories, methods and scientific software.

www.icams.de/institute/departments-groups/computational-design-of-functional-interfaces/

Publications

  • 2025
2025
  • article
article2025Antoine LoewDewen SunHai-Chen WangSilvana BottiMiguel A. L. Marques

Universal machine learning interatomic potentials are ready for phonons

Antoine Loew, Dewen Sun, Hai-Chen Wang, Silvana Botti, Miguel A. L. Marques:
npj Computational Materials (2025)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105007937211&doi=10.1038%2fs41524-025-01650-1&partnerID=40&md5=41b2fdc46095cc06e442b713d43e627chttps://dx.doi.org/10.1038/s41524-025-01650-1
  • 2024
2024
  • article
article2024Ayoub AouinaPedro BorlidoMiguel A. L. MarquesSilvana Botti

Assessing Exchange-Correlation Functionals for Accurate Densities of Solids

Ayoub Aouina, Pedro Borlido, Miguel A. L. Marques, Silvana Botti:
Journal of Chemical Theory and Computation (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85211020967&doi=10.1021%2facs.jctc.4c01042&partnerID=40&md5=8ef3c4a4be376d5eaeae9c7fc8b44f57https://dx.doi.org/10.1021/acs.jctc.4c01042
2024
  • article
article2024Michael SeifertTomáš RauchMiguel A. L. MarquesSilvana Botti

Computational prediction and characterization of CuI-based ternary p-type transparent conductors

Michael Seifert, Tomáš Rauch, Miguel A. L. Marques, Silvana Botti:
Journal of Materials Chemistry C (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85192489724&doi=10.1039%2fd4tc00277f&partnerID=40&md5=6e15c2a2b15ed458b720b3ea4cb84f4dhttps://dx.doi.org/10.1039/d4tc00277f
2024
  • article
article2024Matthew L. EvansJohan BergsmaAndrius MerkysCasper W. AndersenOskar B. AnderssonDaniel BeltránEvgeny BlokhinTara M. BolandRubén Castañeda BalderasKamal ChoudharyAlberto Díaz DíazRodrigo Domínguez GarcíaHagen EckertKristjan EimreMaría Elena Fuentes MonteroAdam M. KrajewskiJens Jørgen MortensenJosé Manuel Nápoles DuarteJacob PietrygaJi QiFelipe de Jesús Trejo CarrilloAntanas VaitkusJusong YuAdam ZettelPedro Baptista CastroJohan CarlssonTiago F. T. CerqueiraSimon DivilovHamidreza HajiyaniFelix HankeKevin JoseCorey OsesJanosh RiebesellJonathan SchmidtDonald WinstonChristen XieXiaoyu YangSara BonellaSilvana BottiStefano CurtaroloClaudia DraxlLuis Edmundo Fuentes CobasAdam HospitalZi-Kui LiuMiguel A. L. MarquesNicola MarzariAndrew J. MorrisShyue Ping OngModesto OrozcoKristin A. PerssonKristian S. ThygesenChris WolvertonMarkus ScheidgenCormac ToherGareth J. ConduitGiovanni PizziSaulius GražulisGian-Marco RignaneseRickard Armiento

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

Matthew L. Evans, Johan Bergsma, Andrius Merkys, Casper W. Andersen, Oskar B. Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M. Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M. Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista Castro, Johan Carlsson, Tiago F. T. Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A. L. Marques, Nicola Marzari, Andrew J. Morris, Shyue Ping Ong, Modesto Orozco, Kristin A. Persson, Kristian S. Thygesen, Chris Wolverton, Markus Scheidgen, Cormac Toher, Gareth J. Conduit, Giovanni Pizzi, Saulius Gražulis, Gian-Marco Rignanese, Rickard Armiento:
Digital Discovery (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85195098869&doi=10.1039%2fd4dd00039k&partnerID=40&md5=573c672a2f998be85f33d57cd7e9f5afhttps://dx.doi.org/10.1039/d4dd00039k
2024
  • article
article2024Wouter H. J. PeetersVictor T. LangeAbderrezak BelabbesMax C. HemertMarvin Marco JansenRiccardo FarinaMarvin A. J. TilburgMarcel A. VerheijenSilvana BottiFriedhelm BechstedtJos. E. M. HaverkortErik P. A. M. Bakkers

Direct bandgap quantum wells in hexagonal Silicon Germanium

Wouter H. J. Peeters, Victor T. Lange, Abderrezak Belabbes, Max C. Hemert, Marvin Marco Jansen, Riccardo Farina, Marvin A. J. Tilburg, Marcel A. Verheijen, Silvana Botti, Friedhelm Bechstedt, Jos. E. M. Haverkort, Erik P. A. M. Bakkers:
Nature Communications (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85196375302&doi=10.1038%2fs41467-024-49399-3&partnerID=40&md5=a653c176c2e7b64324f68a3513bbc8adhttps://dx.doi.org/10.1038/s41467-024-49399-3
2024
  • article
article2024Jonathan SchmidtTiago F.T. CerqueiraAldo H. RomeroAntoine LoewFabian JägerHai-Chen WangSilvana BottiMiguel A.L. Marques

Improving machine-learning models in materials science through large datasets

Jonathan Schmidt, Tiago F.T. Cerqueira, Aldo H. Romero, Antoine Loew, Fabian Jäger, Hai-Chen Wang, Silvana Botti, Miguel A.L. Marques:
Materials Today Physics (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85205266195&doi=10.1016%2fj.mtphys.2024.101560&partnerID=40&md5=d181a11f8306ad5b1c8b82b8243ee4c9https://dx.doi.org/10.1016/j.mtphys.2024.101560
2024
  • article
article2024Christiane DethloffKatrin ThiemeSusanne SelleMichael SeifertSofie VogtDaniel SplithSilvana BottiMarius GrundmannMichael Lorenz

Ni-Alloyed Copper Iodide Thin Films: Microstructural Features and Functional Performance

Christiane Dethloff, Katrin Thieme, Susanne Selle, Michael Seifert, Sofie Vogt, Daniel Splith, Silvana Botti, Marius Grundmann, Michael Lorenz:
Physica Status Solidi (B) Basic Research (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85182831445&doi=10.1002%2fpssb.202300492&partnerID=40&md5=ce22b4796bc742e21be53adbe5a48d6dhttps://dx.doi.org/10.1002/pssb.202300492
2024
  • article
article2024Kun GaoWenwen CuiJingming ShiArtur P. DurajskiJian HaoSilvana BottiMiguel A. L. MarquesYinwei Li

Prediction of high- Tc superconductivity in ternary actinium beryllium hydrides at low pressure

Kun Gao, Wenwen Cui, Jingming Shi, Artur P. Durajski, Jian Hao, Silvana Botti, Miguel A. L. Marques, Yinwei Li:
Physical Review B (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85181876761&doi=10.1103%2fPhysRevB.109.014501&partnerID=40&md5=9b8b4238a8e4c1f3fba1ea8f7e9f323ahttps://dx.doi.org/10.1103/PhysRevB.109.014501
  • 2023
2023
  • article
article2023Tomáš RauchPavel MartonSilvana BottiJiří Hlinka

Band alignment at the strontium germanate interface with silicon

Tomáš Rauch, Pavel Marton, Silvana Botti, Jiří Hlinka:
Physical Review B (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85151279182&doi=10.1103%2fPhysRevB.107.115303&partnerID=40&md5=f12af87403fcec2b11d4372188a79269https://dx.doi.org/10.1103/PhysRevB.107.115303
2023
  • article
article2023R. HildebrandtM. SeifertJ. GeorgeS. BlaurockS. BottiH. KrautscheidM. GrundmannC. Sturm

Determination of acoustic phonon anharmonicities via second-order Raman scattering in CuI

R. Hildebrandt, M. Seifert, J. George, S. Blaurock, S. Botti, H. Krautscheid, M. Grundmann, C. Sturm:
New Journal of Physics (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85180363983&doi=10.1088%2f1367-2630%2fad1141&partnerID=40&md5=e55d6347cdca54cbc2a07318aa5efec0https://dx.doi.org/10.1088/1367-2630/ad1141
2023
  • article
article2023Jan ReislöhnerXiao ChenDoyeong KimSilvana BottiAdrian N. Pfeiffer

Dynamical Franz-Keldysh Effect in Diamond in the Deep Ultraviolet Probed by Transient Absorption and Dispersion Spectroscopy Using a Miniature Beamline

Jan Reislöhner, Xiao Chen, Doyeong Kim, Silvana Botti, Adrian N. Pfeiffer:
Physical Review Letters (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85174215613&doi=10.1103%2fPhysRevLett.131.136902&partnerID=40&md5=3516982f520996cfc7b4b8c7ddd51a76https://dx.doi.org/10.1103/PhysRevLett.131.136902
2023
  • article
article2023Giancarlo CappelliniJürgen FurthmüllerFriedhelm BechstedtSilvana Botti

Electronic and Optical Properties of Alkaline Earth Metal Fluoride Crystals with the Inclusion of Many-Body Effects: A Comparative Study on Rutile MgF2 and Cubic SrF2

Giancarlo Cappellini, Jürgen Furthmüller, Friedhelm Bechstedt, Silvana Botti:
Symmetry (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85149241443&doi=10.3390%2fsym15020539&partnerID=40&md5=444399567681b94765a25145a477ee79https://dx.doi.org/10.3390/sym15020539
2023
  • article
article2023Pedro BorlidoFriedhelm BechstedtSilvana BottiClaudia Rödl

Ensemble averages of ab initio optical, transport, and thermoelectric properties of hexagonal SixGe1-x alloys

Pedro Borlido, Friedhelm Bechstedt, Silvana Botti, Claudia Rödl:
Physical Review Materials (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85147543049&doi=10.1103%2fPhysRevMaterials.7.014602&partnerID=40&md5=27026246868736bbec4ed4e9a4368fb6https://dx.doi.org/10.1103/PhysRevMaterials.7.014602
2023
  • article
article2023Abderrezak BelabbesSilvana BottiFriedhelm Bechstedt

Erratum: Band lineup at hexagonal SixGe1-x/SiyGe1-y alloy interfaces (Physical Review B (2022) 106 (085303) DOI: 10.1103/PhysRevB.106.085303)

Abderrezak Belabbes, Silvana Botti, Friedhelm Bechstedt:
Physical Review B (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85146518851&doi=10.1103%2fPhysRevB.107.039903&partnerID=40&md5=9cecfea0c4fe4eb6b6b11a2563ce6829https://dx.doi.org/10.1103/PhysRevB.107.039903
2023
  • article
article2023Martin KellerAbderrezak BelabbesJürgen FurthmüllerFriedhelm BechstedtSilvana Botti

First-principles insight in structure-property relationships of hexagonal Si and Ge polytypes

Martin Keller, Abderrezak Belabbes, Jürgen Furthmüller, Friedhelm Bechstedt, Silvana Botti:
Physical Review Materials (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85161937780&doi=10.1103%2fPhysRevMaterials.7.064601&partnerID=40&md5=bde9ec4c422898261f9ab8761178a1cehttps://dx.doi.org/10.1103/PhysRevMaterials.7.064601
2023
  • article
article2023Jonathan SchmidtNoah HoffmannHai-Chen WangPedro BorlidoPedro J. M. A. CarriçoTiago F. T. CerqueiraSilvana BottiMiguel A. L. Marques

Machine-Learning-Assisted Determination of the Global Zero-Temperature Phase Diagram of Materials

Jonathan Schmidt, Noah Hoffmann, Hai-Chen Wang, Pedro Borlido, Pedro J. M. A. Carriço, Tiago F. T. Cerqueira, Silvana Botti, Miguel A. L. Marques:
Advanced Materials (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85151699686&doi=10.1002%2fadma.202210788&partnerID=40&md5=e334d2090f362882b7702272595056behttps://dx.doi.org/10.1002/adma.202210788
2023
  • article
article2023Evgeny KrügerMichael SeifertVolker GottschalchHarald KrautscheidClaudia S. SchnohrSilvana BottiMarius GrundmannChris Sturm

Optical properties of Agx Cu1- x I alloy thin films

Evgeny Krüger, Michael Seifert, Volker Gottschalch, Harald Krautscheid, Claudia S. Schnohr, Silvana Botti, Marius Grundmann, Chris Sturm:
AIP Advances (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85149821101&doi=10.1063%2f5.0137091&partnerID=40&md5=fb8609211a1100c11166c236b4e18588https://dx.doi.org/10.1063/5.0137091
2023
  • article
article2023Hans H. FalkStefanie EcknerMichael SeifertKonrad RitterSergiu LevcenkoTimo PfeiffelmannEdmund WelterSilvana BottiWilliam N. ShafarmanClaudia S. Schnohr

Peculiar bond length dependence in (Ag,Cu)GaSe2 alloys and its impact on the bandgap bowing

Hans H. Falk, Stefanie Eckner, Michael Seifert, Konrad Ritter, Sergiu Levcenko, Timo Pfeiffelmann, Edmund Welter, Silvana Botti, William N. Shafarman, Claudia S. Schnohr:
APL Materials (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85176132016&doi=10.1063%2f5.0164407&partnerID=40&md5=e1625bd94e348908869daf846c18d2b6https://dx.doi.org/10.1063/5.0164407
2023
  • conference
conference2023Jan ReislöhnerX. ChenDoyeong KimS. BottiAdrian N. Pfeiffer

The dynamical Franz-Keldysh effect in the deep ultraviolet probed by transient absorption and dispersion of diamond

Jan Reislöhner, X. Chen, Doyeong Kim, S. Botti, Adrian N. Pfeiffer:
2023 Conference on Lasers and Electro-Optics Europe and European Quantum Electronics Conference, CLEO/Europe-EQEC 2023 (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85175713135&doi=10.1109%2fCLEO%2fEUROPE-EQEC57999.2023.10232212&partnerID=40&md5=1a8da6221a74cf4623af271dcc37e79ehttps://dx.doi.org/10.1109/CLEO/EUROPE-EQEC57999.2023.10232212
2023
  • article
article2023Noah HoffmannJonathan SchmidtSilvana BottiMiguel A. L. Marques

Transfer learning on large datasets for the accurate prediction of material properties

Noah Hoffmann, Jonathan Schmidt, Silvana Botti, Miguel A. L. Marques:
Digital Discovery (2023)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85169506531&doi=10.1039%2fd3dd00030c&partnerID=40&md5=4c4c3ee5b3bd7361d90940805a2430a5https://dx.doi.org/10.1039/d3dd00030c
  • 2022
2022
  • article
article2022Jonathan SchmidtHai-Chen WangTiago F. T. CerqueiraSilvana BottiMiguel A. L. Marques

A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals

Jonathan Schmidt, Hai-Chen Wang, Tiago F. T. Cerqueira, Silvana Botti, Miguel A. L. Marques:
Scientific Data (2022)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85125611190&doi=10.1038%2fs41597-022-01177-w&partnerID=40&md5=e5ce97069e46eae41ac219867789c909https://dx.doi.org/10.1038/s41597-022-01177-w
2022
  • article
article2022Abderrezak BelabbesSilvana BottiFriedhelm Bechstedt

Band lineup at hexagonal SixGe1-x/SiyGe1-y alloy interfaces

Abderrezak Belabbes, Silvana Botti, Friedhelm Bechstedt:
Physical Review B (2022)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85136192974&doi=10.1103%2fPhysRevB.106.085303&partnerID=40&md5=796d74bf2db8c6e20680d16e8647b8f4https://dx.doi.org/10.1103/PhysRevB.106.085303
2022
  • article
article2022Pedro BorlidoJonathan SchmidtHai-Chen WangSilvana BottiMiguel A. L. Marques

Computational screening of materials with extreme gap deformation potentials

Pedro Borlido, Jonathan Schmidt, Hai-Chen Wang, Silvana Botti, Miguel A. L. Marques:
npj Computational Materials (2022)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85134476297&doi=10.1038%2fs41524-022-00811-w&partnerID=40&md5=37fe80679917162a9c355f49103f0472https://dx.doi.org/10.1038/s41524-022-00811-w
2022
  • article
article2022Michael SeifertEvgeny KrügerMichael S. BarStefan MerkerHolger Von WencksternHarald KrautscheidMarius GrundmannChris SturmSilvana Botti

Dielectric function of CuBrx I1-x alloy thin films

Michael Seifert, Evgeny Krüger, Michael S. Bar, Stefan Merker, Holger Von Wenckstern, Harald Krautscheid, Marius Grundmann, Chris Sturm, Silvana Botti:
Physical Review Materials (2022)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85143661601&doi=10.1103%2fPhysRevMaterials.6.124601&partnerID=40&md5=964e4bb294c1a46cabb3dcfa84bd51d1https://dx.doi.org/10.1103/PhysRevMaterials.6.124601
2022
  • article
article2022Arghya GhoshSubrata JanaTomáš RauchFabien TranMiguel A. L. MarquesSilvana BottiLucian A. ConstantinManish K. NiranjanPrasanjit Samal

Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study

Arghya Ghosh, Subrata Jana, Tomáš Rauch, Fabien Tran, Miguel A. L. Marques, Silvana Botti, Lucian A. Constantin, Manish K. Niranjan, Prasanjit Samal:
Journal of Chemical Physics (2022)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139154412&doi=10.1063%2f5.0111693&partnerID=40&md5=e29bf91884ce075e6fd97dce4b3a4ecehttps://dx.doi.org/10.1063/5.0111693